1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide

C10H15N5O — CID 73439405

IUPAC1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide
SMILESCN1CCN(c2ncccn2)CC1C(N)=O
InChIInChI=1S/C10H15N5O/c1-14-5-6-15(7-8(14)9(11)16)10-12-3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H2,11,16)
InChIKeyZPIKDBXKMKVBRK-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.92
Rot. Bonds2

About 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide

1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide (PubChem CID 73439405) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide
PubChem CID73439405
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide
SMILESCN1CCN(c2ncccn2)CC1C(N)=O
InChIInChI=1S/C10H15N5O/c1-14-5-6-15(7-8(14)9(11)16)10-12-3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H2,11,16)
InChIKeyZPIKDBXKMKVBRK-UHFFFAOYSA-N
XLogP-0.92
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
N-Isopropyl-2-(4-pyrimidin-2-yl-piperazin-1-yl)-acetamide
CID 651293
2-(4-morpholinyl)-N-2-pyrimidinylacetamide
CID 787681
N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide
CID 25269413
2,2,2-Trifluoro-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethan-1-one
CID 753091
Piperazine, 1-(1,3-dioxobutyl)-4-(2-pyrimidinyl)-
CID 3074859
N-butyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 16189770
N-propyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 2056701
(2S)-2-amino-5-(diaminomethylideneamino)-N-methyl-N-[3-[methyl(pyrimidin-2-yl)amino]propyl]pentanamide
CID 45102734

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide (CID 73439405) is 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide is CN1CCN(c2ncccn2)CC1C(N)=O.
What is the InChIKey of 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide?
The InChIKey is ZPIKDBXKMKVBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-14-5-6-15(7-8(14)9(11)16)10-12-3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H2,11,16).
What are the key properties of 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide?
1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrimidin-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 73439405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).