N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

C16H22N10O — CID 146041003

IUPACN-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCCCCc1nc(C)cc(NCCNC(=O)c2cc(-n3cnnn3)n[nH]2)n1
InChIInChI=1S/C16H22N10O/c1-3-4-5-13-20-11(2)8-14(21-13)17-6-7-18-16(27)12-9-15(23-22-12)26-10-19-24-25-26/h8-10H,3-7H2,1-2H3,(H,18,27)(H,22,23)(H,17,20,21)
InChIKeyUUERHECCHYUYJS-UHFFFAOYSA-N
MW370.42 g/mol
LogP0.67
Rot. Bonds9

About N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 146041003) has the molecular formula C16H22N10O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID146041003
Molecular FormulaC16H22N10O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC NameN-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCCCCc1nc(C)cc(NCCNC(=O)c2cc(-n3cnnn3)n[nH]2)n1
InChIInChI=1S/C16H22N10O/c1-3-4-5-13-20-11(2)8-14(21-13)17-6-7-18-16(27)12-9-15(23-22-12)26-10-19-24-25-26/h8-10H,3-7H2,1-2H3,(H,18,27)(H,22,23)(H,17,20,21)
InChIKeyUUERHECCHYUYJS-UHFFFAOYSA-N
XLogP0.67
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146037965
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146039372
N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146042205
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146046306
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
(3R)-3-N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]piperidine-1,3-dicarboxamide
CID 97112978
N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(tetrazol-1-yl)benzamide
CID 122328399
1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 50958764
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146044321
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (CID 146041003) is N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is CCCCc1nc(C)cc(NCCNC(=O)c2cc(-n3cnnn3)n[nH]2)n1.
What is the InChIKey of N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UUERHECCHYUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N10O/c1-3-4-5-13-20-11(2)8-14(21-13)17-6-7-18-16(27)12-9-15(23-22-12)26-10-19-24-25-26/h8-10H,3-7H2,1-2H3,(H,18,27)(H,22,23)(H,17,20,21).
What are the key properties of N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 146041003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).