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

C10H18N4O — CID 136914205

IUPAC4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-8(5-11-2)6-14(3)9-4-10(15)13-7-12-9/h4,7-8,11H,5-6H2,1-3H3,(H,12,13,15)
InChIKeyJAHGZQWDNUNJHS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.06
Rot. Bonds5

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

4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (PubChem CID 136914205) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
PubChem CID136914205
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-8(5-11-2)6-14(3)9-4-10(15)13-7-12-9/h4,7-8,11H,5-6H2,1-3H3,(H,12,13,15)
InChIKeyJAHGZQWDNUNJHS-UHFFFAOYSA-N
XLogP0.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (CID 136914205) is 4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is CNCC(C)CN(C)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The InChIKey is JAHGZQWDNUNJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(5-11-2)6-14(3)9-4-10(15)13-7-12-9/h4,7-8,11H,5-6H2,1-3H3,(H,12,13,15).
What are the key properties of 4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136914205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).