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

C15H20N6O — CID 68763575

IUPAC6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCC1=C2CC(c3ncc[nH]3)=CN([C@H]3CCOC3)C2N=C(N)N1
InChIInChI=1S/C15H20N6O/c1-9-12-6-10(13-17-3-4-18-13)7-21(11-2-5-22-8-11)14(12)20-15(16)19-9/h3-4,7,11,14H,2,5-6,8H2,1H3,(H,17,18)(H3,16,19,20)/t11-,14?/m0/s1
InChIKeyWIENQJSZHSQWIB-ZSOXZCCMSA-N
MW300.37 g/mol
LogP0.76
Rot. Bonds2

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

6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 68763575) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxolan-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)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID68763575
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCC1=C2CC(c3ncc[nH]3)=CN([C@H]3CCOC3)C2N=C(N)N1
InChIInChI=1S/C15H20N6O/c1-9-12-6-10(13-17-3-4-18-13)7-21(11-2-5-22-8-11)14(12)20-15(16)19-9/h3-4,7,11,14H,2,5-6,8H2,1H3,(H,17,18)(H3,16,19,20)/t11-,14?/m0/s1
InChIKeyWIENQJSZHSQWIB-ZSOXZCCMSA-N
XLogP0.76
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.76
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)-oxolan-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)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine (CID 68763575) is 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxolan-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)-oxolan-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)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine is CC1=C2CC(c3ncc[nH]3)=CN([C@H]3CCOC3)C2N=C(N)N1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is WIENQJSZHSQWIB-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9-12-6-10(13-17-3-4-18-13)7-21(11-2-5-22-8-11)14(12)20-15(16)19-9/h3-4,7,11,14H,2,5-6,8H2,1H3,(H,17,18)(H3,16,19,20)/t11-,14?/m0/s1.
What are the key properties of 6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine?
6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 0.76, 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)-oxolan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 68763575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).