6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine

C25H38N6O — CID 70206507

IUPAC6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine
SMILESCCN(CC)CCOc1ccc(Nc2ncc3c(n2)N(C)CN(C2CCCCC2)C3)cc1
InChIInChI=1S/C25H38N6O/c1-4-30(5-2)15-16-32-23-13-11-21(12-14-23)27-25-26-17-20-18-31(19-29(3)24(20)28-25)22-9-7-6-8-10-22/h11-14,17,22H,4-10,15-16,18-19H2,1-3H3,(H,26,27,28)
InChIKeyWEJYMQSDVAOIAA-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.48
Rot. Bonds9

About 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine

6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine (PubChem CID 70206507) has the molecular formula C25H38N6O and a molecular weight of 438.62 g/mol. Its IUPAC name is 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine
PubChem CID70206507
Molecular FormulaC25H38N6O
Molecular Weight438.62 g/mol
Exact Mass438.31
IUPAC Name6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine
SMILESCCN(CC)CCOc1ccc(Nc2ncc3c(n2)N(C)CN(C2CCCCC2)C3)cc1
InChIInChI=1S/C25H38N6O/c1-4-30(5-2)15-16-32-23-13-11-21(12-14-23)27-25-26-17-20-18-31(19-29(3)24(20)28-25)22-9-7-6-8-10-22/h11-14,17,22H,4-10,15-16,18-19H2,1-3H3,(H,26,27,28)
InChIKeyWEJYMQSDVAOIAA-UHFFFAOYSA-N
XLogP4.48
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine?
The IUPAC name of 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine (CID 70206507) is 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine is CCN(CC)CCOc1ccc(Nc2ncc3c(n2)N(C)CN(C2CCCCC2)C3)cc1.
What is the InChIKey of 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine?
The InChIKey is WEJYMQSDVAOIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O/c1-4-30(5-2)15-16-32-23-13-11-21(12-14-23)27-25-26-17-20-18-31(19-29(3)24(20)28-25)22-9-7-6-8-10-22/h11-14,17,22H,4-10,15-16,18-19H2,1-3H3,(H,26,27,28).
What are the key properties of 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine?
6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine has a molecular weight of 438.62 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-[4-[2-(diethylamino)ethoxy]phenyl]-8-methyl-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 70206507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).