4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one

C12H19N5O — CID 80945932

IUPAC4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one
SMILESCCCc1nc(NC)cc(N2CCNC(=O)C2)n1
InChIInChI=1S/C12H19N5O/c1-3-4-9-15-10(13-2)7-11(16-9)17-6-5-14-12(18)8-17/h7H,3-6,8H2,1-2H3,(H,14,18)(H,13,15,16)
InChIKeyXECMXSMUOONZKC-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.41
Rot. Bonds4

About 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one

4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one (PubChem CID 80945932) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one
PubChem CID80945932
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one
SMILESCCCc1nc(NC)cc(N2CCNC(=O)C2)n1
InChIInChI=1S/C12H19N5O/c1-3-4-9-15-10(13-2)7-11(16-9)17-6-5-14-12(18)8-17/h7H,3-6,8H2,1-2H3,(H,14,18)(H,13,15,16)
InChIKeyXECMXSMUOONZKC-UHFFFAOYSA-N
XLogP0.41
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one
CID 80947659
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one
CID 80946966
4-(6-chloro-2-propylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80946128
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine
CID 80944351
4-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80959348
4-[6-(ethylamino)pyrazin-2-yl]piperazin-2-one
CID 78990212
6-(3,3-dimethylpiperidin-1-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950675
4-[6-(ethylamino)-2-pyridinyl]piperazin-2-one
CID 80763941
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine
CID 80941631
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80957470
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80944630
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950038

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one (CID 80945932) is 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one is CCCc1nc(NC)cc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one?
The InChIKey is XECMXSMUOONZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-4-9-15-10(13-2)7-11(16-9)17-6-5-14-12(18)8-17/h7H,3-6,8H2,1-2H3,(H,14,18)(H,13,15,16).
What are the key properties of 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one?
4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylamino)-2-propylpyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80945932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).