5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one

C11H17ClN4O — CID 136780736

IUPAC5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
SMILESCN(C)C1(CNc2nc[nH]c(=O)c2Cl)CCC1
InChIInChI=1S/C11H17ClN4O/c1-16(2)11(4-3-5-11)6-13-9-8(12)10(17)15-7-14-9/h7H,3-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyOANNMNPVRINFNT-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.32
Rot. Bonds4

About 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one

5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136780736) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136780736
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
SMILESCN(C)C1(CNc2nc[nH]c(=O)c2Cl)CCC1
InChIInChI=1S/C11H17ClN4O/c1-16(2)11(4-3-5-11)6-13-9-8(12)10(17)15-7-14-9/h7H,3-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyOANNMNPVRINFNT-UHFFFAOYSA-N
XLogP1.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
4-[(1-amino-3-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136757239
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780737
4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780738
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780739
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780755
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780756
5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780757
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780760
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
5-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
CID 136800370
4-[2-aminoethyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136827347

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one (CID 136780736) is 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one is CN(C)C1(CNc2nc[nH]c(=O)c2Cl)CCC1.
What is the InChIKey of 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is OANNMNPVRINFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16(2)11(4-3-5-11)6-13-9-8(12)10(17)15-7-14-9/h7H,3-6H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 256.74 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).