5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile

C20H20N6O2 — CID 59258889

IUPAC5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile
SMILESCc1nc(N)nc2c1cc(-c1ccc(C#N)nc1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C20H20N6O2/c1-11-16-8-17(12-2-3-13(9-21)23-10-12)19(28)26(18(16)25-20(22)24-11)14-4-6-15(27)7-5-14/h2-3,8,10,14-15,27H,4-7H2,1H3,(H2,22,24,25)
InChIKeyHHWCQEVRICETMG-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.09
Rot. Bonds2

About 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile

5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile (PubChem CID 59258889) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile
PubChem CID59258889
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile
SMILESCc1nc(N)nc2c1cc(-c1ccc(C#N)nc1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C20H20N6O2/c1-11-16-8-17(12-2-3-13(9-21)23-10-12)19(28)26(18(16)25-20(22)24-11)14-4-6-15(27)7-5-14/h2-3,8,10,14-15,27H,4-7H2,1H3,(H2,22,24,25)
InChIKeyHHWCQEVRICETMG-UHFFFAOYSA-N
XLogP2.09
TPSA130.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile (CID 59258889) is 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile is Cc1nc(N)nc2c1cc(-c1ccc(C#N)nc1)c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile?
The InChIKey is HHWCQEVRICETMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-11-16-8-17(12-2-3-13(9-21)23-10-12)19(28)26(18(16)25-20(22)24-11)14-4-6-15(27)7-5-14/h2-3,8,10,14-15,27H,4-7H2,1H3,(H2,22,24,25).
What are the key properties of 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile?
5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile has a molecular weight of 376.42 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 59258889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).