5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C18H21N7O2 — CID 66959898

IUPAC5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(Nc3cnccn3)nc(NC3CCC(O)CC3)c2c1=O
InChIInChI=1S/C18H21N7O2/c1-25-10-21-13-8-14(23-15-9-19-6-7-20-15)24-17(16(13)18(25)27)22-11-2-4-12(26)5-3-11/h6-12,26H,2-5H2,1H3,(H2,20,22,23,24)
InChIKeyHRMQVFHXNVFGLE-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.58
Rot. Bonds4

About 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959898) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959898
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(Nc3cnccn3)nc(NC3CCC(O)CC3)c2c1=O
InChIInChI=1S/C18H21N7O2/c1-25-10-21-13-8-14(23-15-9-19-6-7-20-15)24-17(16(13)18(25)27)22-11-2-4-12(26)5-3-11/h6-12,26H,2-5H2,1H3,(H2,20,22,23,24)
InChIKeyHRMQVFHXNVFGLE-UHFFFAOYSA-N
XLogP1.58
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959898) is 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(Nc3cnccn3)nc(NC3CCC(O)CC3)c2c1=O.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HRMQVFHXNVFGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-25-10-21-13-8-14(23-15-9-19-6-7-20-15)24-17(16(13)18(25)27)22-11-2-4-12(26)5-3-11/h6-12,26H,2-5H2,1H3,(H2,20,22,23,24).
What are the key properties of 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 367.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).