6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine

C16H22N6O — CID 68763042

IUPAC6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCC1=C2CC(c3ncc[nH]3)=CN([C@H]3CCCOC3)C2N=C(N)N1
InChIInChI=1S/C16H22N6O/c1-10-13-7-11(14-18-4-5-19-14)8-22(12-3-2-6-23-9-12)15(13)21-16(17)20-10/h4-5,8,12,15H,2-3,6-7,9H2,1H3,(H,18,19)(H3,17,20,21)/t12-,15?/m0/s1
InChIKeyWOCXFQNJPKULCO-SFVWDYPZSA-N
MW314.39 g/mol
LogP1.15
Rot. Bonds2

About 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine

6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 68763042) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID68763042
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCC1=C2CC(c3ncc[nH]3)=CN([C@H]3CCCOC3)C2N=C(N)N1
InChIInChI=1S/C16H22N6O/c1-10-13-7-11(14-18-4-5-19-14)8-22(12-3-2-6-23-9-12)15(13)21-16(17)20-10/h4-5,8,12,15H,2-3,6-7,9H2,1H3,(H,18,19)(H3,17,20,21)/t12-,15?/m0/s1
InChIKeyWOCXFQNJPKULCO-SFVWDYPZSA-N
XLogP1.15
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine (CID 68763042) is 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine is CC1=C2CC(c3ncc[nH]3)=CN([C@H]3CCCOC3)C2N=C(N)N1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is WOCXFQNJPKULCO-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H22N6O/c1-10-13-7-11(14-18-4-5-19-14)8-22(12-3-2-6-23-9-12)15(13)21-16(17)20-10/h4-5,8,12,15H,2-3,6-7,9H2,1H3,(H,18,19)(H3,17,20,21)/t12-,15?/m0/s1.
What are the key properties of 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine?
6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 68763042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).