2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C17H23N3O4 — CID 91766788

IUPAC2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H23N3O4/c21-16(12-7-18-15(11-3-4-11)20-17(12)22)19-13-9-23-6-5-14(13)24-8-10-1-2-10/h7,10-11,13-14H,1-6,8-9H2,(H,19,21)(H,18,20,22)/t13-,14+/m1/s1
InChIKeyVGYJKYGLAZZATC-KGLIPLIRSA-N
MW333.39 g/mol
LogP0.96
Rot. Bonds6

About 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 91766788) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID91766788
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H23N3O4/c21-16(12-7-18-15(11-3-4-11)20-17(12)22)19-13-9-23-6-5-14(13)24-8-10-1-2-10/h7,10-11,13-14H,1-6,8-9H2,(H,19,21)(H,18,20,22)/t13-,14+/m1/s1
InChIKeyVGYJKYGLAZZATC-KGLIPLIRSA-N
XLogP0.96
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-4-hydroxypyrimidine-5-carboxamide
CID 70764064
1,5-anhydro-2-{[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}-2,4-dideoxy-D-threo-pentitol
CID 91760242
1,5-anhydro-3-O-(cyclopropylmethyl)-2,4-dideoxy-4-{[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]amino}-D-erythro-pentitol
CID 91762751
1,5-anhydro-4-{[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}-2,4-dideoxy-3-O-(3-methylbut-2-en-1-yl)-D-erythro-pentitol
CID 91777523
1,5-anhydro-3-{[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}-2,3-dideoxy-4-O-methyl-D-threo-pentitol
CID 91797301
N-[cis-4-(cyclopropylmethoxy)tetrahydro-2H-pyran-3-yl]-2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91797676
2-cyclopropyl-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 133125711
2-cyclopropyl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 133267808
2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 138022187
2-cyclopropyl-5-(2-cyclopropyl-6-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 145906344

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 91766788) is 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VGYJKYGLAZZATC-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-16(12-7-18-15(11-3-4-11)20-17(12)22)19-13-9-23-6-5-14(13)24-8-10-1-2-10/h7,10-11,13-14H,1-6,8-9H2,(H,19,21)(H,18,20,22)/t13-,14+/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91766788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).