2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide

C16H24N4O3 — CID 164630030

IUPAC2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide
SMILESCC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)nc(N)n1
InChIInChI=1S/C16H24N4O3/c1-10(2)4-7-23-14-9-22-6-5-12(14)19-15(21)13-8-11(3)18-16(17)20-13/h4,8,12,14H,5-7,9H2,1-3H3,(H,19,21)(H2,17,18,20)/t12-,14-/m0/s1
InChIKeyKVOWIENTKYVPTD-JSGCOSHPSA-N
MW320.39 g/mol
LogP1.24
Rot. Bonds5

About 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide

2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide (PubChem CID 164630030) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide
PubChem CID164630030
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide
SMILESCC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)nc(N)n1
InChIInChI=1S/C16H24N4O3/c1-10(2)4-7-23-14-9-22-6-5-12(14)19-15(21)13-8-11(3)18-16(17)20-13/h4,8,12,14H,5-7,9H2,1-3H3,(H,19,21)(H2,17,18,20)/t12-,14-/m0/s1
InChIKeyKVOWIENTKYVPTD-JSGCOSHPSA-N
XLogP1.24
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide
CID 91790443
2-amino-N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-6-methylpyrimidine-4-carboxamide
CID 91829216
2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91797508
4-fluoro-3-hydroxy-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91770821
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-5-carboxamide
CID 91772333
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91783225
1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide
CID 164634615
3-(difluoromethoxy)-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91776698
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-thiazole-4-carboxamide
CID 91774050
4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide
CID 91787921
2-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91762110
5,7-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91797859

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide (CID 164630030) is 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide is CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)nc(N)n1.
What is the InChIKey of 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide?
The InChIKey is KVOWIENTKYVPTD-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)4-7-23-14-9-22-6-5-12(14)19-15(21)13-8-11(3)18-16(17)20-13/h4,8,12,14H,5-7,9H2,1-3H3,(H,19,21)(H2,17,18,20)/t12-,14-/m0/s1.
What are the key properties of 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide?
2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 164630030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).