4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide

C16H24N8O — CID 125158178

IUPAC4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N[C@H](C)Cn1cncn1
InChIInChI=1S/C16H24N8O/c1-12(9-24-11-17-10-19-24)20-15(25)14-8-18-16(21-13(14)2)23-6-4-22(3)5-7-23/h8,10-12H,4-7,9H2,1-3H3,(H,20,25)/t12-/m1/s1
InChIKeyVBVQKXYYUFNDPD-GFCCVEGCSA-N
MW344.42 g/mol
LogP-0.05
Rot. Bonds5

About 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide

4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide (PubChem CID 125158178) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide
PubChem CID125158178
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N[C@H](C)Cn1cncn1
InChIInChI=1S/C16H24N8O/c1-12(9-24-11-17-10-19-24)20-15(25)14-8-18-16(21-13(14)2)23-6-4-22(3)5-7-23/h8,10-12H,4-7,9H2,1-3H3,(H,20,25)/t12-/m1/s1
InChIKeyVBVQKXYYUFNDPD-GFCCVEGCSA-N
XLogP-0.05
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide
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4-methyl-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
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4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
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N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-4-(1,2,4-triazol-1-yl)butanamide
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CID 46345525
2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 131937080
4-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 92582406
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 66505240
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide (CID 125158178) is 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide is Cc1nc(N2CCN(C)CC2)ncc1C(=O)N[C@H](C)Cn1cncn1.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is VBVQKXYYUFNDPD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N8O/c1-12(9-24-11-17-10-19-24)20-15(25)14-8-18-16(21-13(14)2)23-6-4-22(3)5-7-23/h8,10-12H,4-7,9H2,1-3H3,(H,20,25)/t12-/m1/s1.
What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide?
4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-1-yl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 125158178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).