2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H20N6 — CID 56756694

IUPAC2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(C)Nc1ncc(-c2c(C#N)c(N)nc3c2CCCC3)cn1
InChIInChI=1S/C17H20N6/c1-10(2)22-17-20-8-11(9-21-17)15-12-5-3-4-6-14(12)23-16(19)13(15)7-18/h8-10H,3-6H2,1-2H3,(H2,19,23)(H,20,21,22)
InChIKeyLHYJYTZCVLOROV-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 56756694) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID56756694
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(C)Nc1ncc(-c2c(C#N)c(N)nc3c2CCCC3)cn1
InChIInChI=1S/C17H20N6/c1-10(2)22-17-20-8-11(9-21-17)15-12-5-3-4-6-14(12)23-16(19)13(15)7-18/h8-10H,3-6H2,1-2H3,(H2,19,23)(H,20,21,22)
InChIKeyLHYJYTZCVLOROV-UHFFFAOYSA-N
XLogP2.69
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Related Compounds

2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342
2-amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4528748
2-amino-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 662688
2-amino-4-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636172
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
2-amino-4-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
2-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635452
2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5153636
2-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 794070

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 56756694) is 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC(C)Nc1ncc(-c2c(C#N)c(N)nc3c2CCCC3)cn1.
What is the InChIKey of 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is LHYJYTZCVLOROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-10(2)22-17-20-8-11(9-21-17)15-12-5-3-4-6-14(12)23-16(19)13(15)7-18/h8-10H,3-6H2,1-2H3,(H2,19,23)(H,20,21,22).
What are the key properties of 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 56756694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).