(3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine

C14H22N4O2 — CID 154822618

IUPAC(3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
SMILESCCOc1ccnc(N[C@H]2C[C@H]3CO[C@H](C)CN3C2)n1
InChIInChI=1S/C14H22N4O2/c1-3-19-13-4-5-15-14(17-13)16-11-6-12-9-20-10(2)7-18(12)8-11/h4-5,10-12H,3,6-9H2,1-2H3,(H,15,16,17)/t10-,11+,12+/m1/s1
InChIKeyBBKBSVMZWQHEGH-WOPDTQHZSA-N
MW278.36 g/mol
LogP1.15
Rot. Bonds4

About (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine

(3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine (PubChem CID 154822618) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine.

Molecular Properties

Compound Name(3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
PubChem CID154822618
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
SMILESCCOc1ccnc(N[C@H]2C[C@H]3CO[C@H](C)CN3C2)n1
InChIInChI=1S/C14H22N4O2/c1-3-19-13-4-5-15-14(17-13)16-11-6-12-9-20-10(2)7-18(12)8-11/h4-5,10-12H,3,6-9H2,1-2H3,(H,15,16,17)/t10-,11+,12+/m1/s1
InChIKeyBBKBSVMZWQHEGH-WOPDTQHZSA-N
XLogP1.15
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine with MolForge

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Related Compounds

(3S,7R,8aS)-3-(4-chlorophenyl)-N-(4-ethoxypyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155494026
(3R,7R,8aS)-N-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155497784
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
CID 112638736
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
3-[(4-ethoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 112636158
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
CID 112637934
3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine
CID 112638750
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine
CID 115974598
N-(oxan-3-yl)-4-propoxypyrimidin-2-amine
CID 112637674

Frequently Asked Questions

What is the IUPAC name of (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine?
The IUPAC name of (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine (CID 154822618) is (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine.
What is the SMILES notation for (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine?
The canonical SMILES for (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine is CCOc1ccnc(N[C@H]2C[C@H]3CO[C@H](C)CN3C2)n1.
What is the InChIKey of (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine?
The InChIKey is BBKBSVMZWQHEGH-WOPDTQHZSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-19-13-4-5-15-14(17-13)16-11-6-12-9-20-10(2)7-18(12)8-11/h4-5,10-12H,3,6-9H2,1-2H3,(H,15,16,17)/t10-,11+,12+/m1/s1.
What are the key properties of (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine?
(3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine has a molecular weight of 278.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S,8aS)-N-(4-ethoxypyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine is sourced from PubChem (CID 154822618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).