5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one

C9H15ClN4O — CID 136978882

IUPAC5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-6(3-11-2)4-12-8-7(10)9(15)14-5-13-8/h5-6,11H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyABPPQJPRIRAAJL-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.69
Rot. Bonds5

About 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one

5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (PubChem CID 136978882) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
PubChem CID136978882
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-6(3-11-2)4-12-8-7(10)9(15)14-5-13-8/h5-6,11H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyABPPQJPRIRAAJL-UHFFFAOYSA-N
XLogP0.69
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (CID 136978882) is 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is CNCC(C)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The InChIKey is ABPPQJPRIRAAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-6(3-11-2)4-12-8-7(10)9(15)14-5-13-8/h5-6,11H,3-4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one has a molecular weight of 230.70 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).