6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one

C17H25N5O — CID 134787903

IUPAC6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
SMILESCN1CC(=O)N(C2CCCC2)Cc2c(NCC3CC3)ncnc21
InChIInChI=1S/C17H25N5O/c1-21-10-15(23)22(13-4-2-3-5-13)9-14-16(18-8-12-6-7-12)19-11-20-17(14)21/h11-13H,2-10H2,1H3,(H,18,19,20)
InChIKeyMOJKEBNAWNCLMW-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.02
Rot. Bonds4

About 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one

6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one (PubChem CID 134787903) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one.

Molecular Properties

Compound Name6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
PubChem CID134787903
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
SMILESCN1CC(=O)N(C2CCCC2)Cc2c(NCC3CC3)ncnc21
InChIInChI=1S/C17H25N5O/c1-21-10-15(23)22(13-4-2-3-5-13)9-14-16(18-8-12-6-7-12)19-11-20-17(14)21/h11-13H,2-10H2,1H3,(H,18,19,20)
InChIKeyMOJKEBNAWNCLMW-UHFFFAOYSA-N
XLogP2.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The IUPAC name of 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one (CID 134787903) is 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one.
What is the SMILES notation for 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The canonical SMILES for 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one is CN1CC(=O)N(C2CCCC2)Cc2c(NCC3CC3)ncnc21.
What is the InChIKey of 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The InChIKey is MOJKEBNAWNCLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-21-10-15(23)22(13-4-2-3-5-13)9-14-16(18-8-12-6-7-12)19-11-20-17(14)21/h11-13H,2-10H2,1H3,(H,18,19,20).
What are the key properties of 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one has a molecular weight of 315.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-4-(cyclopropylmethylamino)-9-methyl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one is sourced from PubChem (CID 134787903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).