6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one

C19H22ClN5O2 — CID 18425419

IUPAC6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESO=C1Nc2nc(NC3(CO)CCCCC3)ncc2CN1c1ccccc1Cl
InChIInChI=1S/C19H22ClN5O2/c20-14-6-2-3-7-15(14)25-11-13-10-21-17(22-16(13)23-18(25)27)24-19(12-26)8-4-1-5-9-19/h2-3,6-7,10,26H,1,4-5,8-9,11-12H2,(H2,21,22,23,24,27)
InChIKeyZAXRCYOLCRPDBL-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.79
Rot. Bonds4

About 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one

6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one (PubChem CID 18425419) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one
PubChem CID18425419
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESO=C1Nc2nc(NC3(CO)CCCCC3)ncc2CN1c1ccccc1Cl
InChIInChI=1S/C19H22ClN5O2/c20-14-6-2-3-7-15(14)25-11-13-10-21-17(22-16(13)23-18(25)27)24-19(12-26)8-4-1-5-9-19/h2-3,6-7,10,26H,1,4-5,8-9,11-12H2,(H2,21,22,23,24,27)
InChIKeyZAXRCYOLCRPDBL-UHFFFAOYSA-N
XLogP3.79
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one (CID 18425419) is 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one is O=C1Nc2nc(NC3(CO)CCCCC3)ncc2CN1c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is ZAXRCYOLCRPDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c20-14-6-2-3-7-15(14)25-11-13-10-21-17(22-16(13)23-18(25)27)24-19(12-26)8-4-1-5-9-19/h2-3,6-7,10,26H,1,4-5,8-9,11-12H2,(H2,21,22,23,24,27).
What are the key properties of 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one?
6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 387.87 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclohexyl]amino]-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 18425419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).