1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide

C12H18N6O2 — CID 135875007

IUPAC1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H18N6O2/c1-7-6-9(19)16-12(15-7)17-11(14)18-4-2-8(3-5-18)10(13)20/h6,8H,2-5H2,1H3,(H2,13,20)(H3,14,15,16,17,19)
InChIKeyFVXNNSZBOMDKLY-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.78
Rot. Bonds2

About 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide

1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide (PubChem CID 135875007) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
PubChem CID135875007
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H18N6O2/c1-7-6-9(19)16-12(15-7)17-11(14)18-4-2-8(3-5-18)10(13)20/h6,8H,2-5H2,1H3,(H2,13,20)(H3,14,15,16,17,19)
InChIKeyFVXNNSZBOMDKLY-UHFFFAOYSA-N
XLogP-0.78
TPSA130.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 136217117
4-(difluoromethyl)-2-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137160189
1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide
CID 136350758
2-[3-(4-methylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741336
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135629605
1'-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-[1,4'-bipiperidine]-4'-carboxamide
CID 136239261
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137154125
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
2-(4-ethenylpiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 136127220
2-amino-4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidin-6-one
CID 136157440
2-(3-ethylpiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 137160187

Frequently Asked Questions

What is the IUPAC name of 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide (CID 135875007) is 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide is Cc1cc(=O)[nH]c(N=C(N)N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide?
The InChIKey is FVXNNSZBOMDKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-7-6-9(19)16-12(15-7)17-11(14)18-4-2-8(3-5-18)10(13)20/h6,8H,2-5H2,1H3,(H2,13,20)(H3,14,15,16,17,19).
What are the key properties of 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide?
1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide has a molecular weight of 278.32 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide is sourced from PubChem (CID 135875007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).