N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide

C18H24N4O2 — CID 155497823

IUPACN-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cnc(C2CC2)nc1
InChIInChI=1S/C18H24N4O2/c23-18(13-6-19-17(20-7-13)12-3-4-12)21-14-5-15-10-24-16(11-1-2-11)9-22(15)8-14/h6-7,11-12,14-16H,1-5,8-10H2,(H,21,23)/t14-,15+,16-/m1/s1
InChIKeyZQFYHWBSJNSVAF-OWCLPIDISA-N
MW328.42 g/mol
LogP1.34
Rot. Bonds4

About N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide

N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide (PubChem CID 155497823) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide
PubChem CID155497823
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cnc(C2CC2)nc1
InChIInChI=1S/C18H24N4O2/c23-18(13-6-19-17(20-7-13)12-3-4-12)21-14-5-15-10-24-16(11-1-2-11)9-22(15)8-14/h6-7,11-12,14-16H,1-5,8-10H2,(H,21,23)/t14-,15+,16-/m1/s1
InChIKeyZQFYHWBSJNSVAF-OWCLPIDISA-N
XLogP1.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dichlorobenzamide
CID 154823870
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-chlorobenzamide
CID 155506929
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 154818693
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazole-2-carboxamide
CID 155493966
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(methylamino)pyridine-3-carboxamide
CID 155493910
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylbenzamide
CID 155504487
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 155495161
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 154817380
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-hydroxyphenyl)acetamide
CID 155496203
1-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-phenylurea
CID 154818688
N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-benzofuran-2-carboxamide
CID 154823074
N-[(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 155917085

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide (CID 155497823) is N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide is O=C(N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cnc(C2CC2)nc1.
What is the InChIKey of N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide?
The InChIKey is ZQFYHWBSJNSVAF-OWCLPIDISA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(13-6-19-17(20-7-13)12-3-4-12)21-14-5-15-10-24-16(11-1-2-11)9-22(15)8-14/h6-7,11-12,14-16H,1-5,8-10H2,(H,21,23)/t14-,15+,16-/m1/s1.
What are the key properties of N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide?
N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide is sourced from PubChem (CID 155497823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).