2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

C10H15N5O2 — CID 82510824

IUPAC2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCNc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N5O2/c1-11-10-13-6-7(8(16)14-10)9(17)15-4-2-12-3-5-15/h6,12H,2-5H2,1H3,(H2,11,13,14,16)
InChIKeyLPOYDDCKKAPLJS-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.14
Rot. Bonds2

About 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 82510824) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID82510824
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCNc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N5O2/c1-11-10-13-6-7(8(16)14-10)9(17)15-4-2-12-3-5-15/h6,12H,2-5H2,1H3,(H2,11,13,14,16)
InChIKeyLPOYDDCKKAPLJS-UHFFFAOYSA-N
XLogP-1.14
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione
CID 394413
5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione;hydrochloride
CID 394412
1-[(5,5-Dimethyl-4,6-dihydro-1h-pyrimidin-2-yl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 394415
7-Methyl-6-oxo-1,2,3,4-tetrahydro(6H)pyrimido[1,2-a]pyrimidine
CID 596798
2-(dimethylamino)-N,N-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 71220656
2-[ethyl(methyl)amino]-6-oxo-1H-pyrimidine-5-carboxamide
CID 129933164
5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 131881386
N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080913
2,7-Dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
CID 170054695
2-(3-Methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 177238575
2-amino-N-[2-(dimethylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 251395
6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 24719393

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 82510824) is 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is CNc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is LPOYDDCKKAPLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-11-10-13-6-7(8(16)14-10)9(17)15-4-2-12-3-5-15/h6,12H,2-5H2,1H3,(H2,11,13,14,16).
What are the key properties of 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of -1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82510824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).