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

C10H17ClN4O — CID 136914204

IUPAC5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-7(4-12-2)5-15(3)9-8(11)10(16)14-6-13-9/h6-7,12H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyJHLFFNCHPHWDTA-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.71
Rot. Bonds5

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

5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (PubChem CID 136914204) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
PubChem CID136914204
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-7(4-12-2)5-15(3)9-8(11)10(16)14-6-13-9/h6-7,12H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyJHLFFNCHPHWDTA-UHFFFAOYSA-N
XLogP0.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (CID 136914204) is 5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is CNCC(C)CN(C)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The InChIKey is JHLFFNCHPHWDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-7(4-12-2)5-15(3)9-8(11)10(16)14-6-13-9/h6-7,12H,4-5H2,1-3H3,(H,13,14,16).
What are the key properties of 5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one has a molecular weight of 244.73 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136914204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).