4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one

C13H22N4O2 — CID 136976700

IUPAC4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(N(C)C)CCCC2)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-17(2)13(6-4-5-7-13)8-14-11-10(19-3)12(18)16-9-15-11/h9H,4-8H2,1-3H3,(H2,14,15,16,18)
InChIKeyMCBOLBACPOADHQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.06
Rot. Bonds5

About 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136976700) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136976700
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(N(C)C)CCCC2)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-17(2)13(6-4-5-7-13)8-14-11-10(19-3)12(18)16-9-15-11/h9H,4-8H2,1-3H3,(H2,14,15,16,18)
InChIKeyMCBOLBACPOADHQ-UHFFFAOYSA-N
XLogP1.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136976700) is 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2(N(C)C)CCCC2)nc[nH]c1=O.
What is the InChIKey of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is MCBOLBACPOADHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17(2)13(6-4-5-7-13)8-14-11-10(19-3)12(18)16-9-15-11/h9H,4-8H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136976700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).