6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine

C14H15F2N7 — CID 126836765

IUPAC6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCc1cc(C(F)F)n(-c2cc(N(C)Cc3ncc[nH]3)ncn2)n1
InChIInChI=1S/C14H15F2N7/c1-9-5-10(14(15)16)23(21-9)13-6-12(19-8-20-13)22(2)7-11-17-3-4-18-11/h3-6,8,14H,7H2,1-2H3,(H,17,18)
InChIKeyAWGITHTVNDUFOX-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.27
Rot. Bonds5

About 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine

6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 126836765) has the molecular formula C14H15F2N7 and a molecular weight of 319.32 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID126836765
Molecular FormulaC14H15F2N7
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCc1cc(C(F)F)n(-c2cc(N(C)Cc3ncc[nH]3)ncn2)n1
InChIInChI=1S/C14H15F2N7/c1-9-5-10(14(15)16)23(21-9)13-6-12(19-8-20-13)22(2)7-11-17-3-4-18-11/h3-6,8,14H,7H2,1-2H3,(H,17,18)
InChIKeyAWGITHTVNDUFOX-UHFFFAOYSA-N
XLogP2.27
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-yl-6-pyrazol-1-ylpyrimidin-4-amine
CID 72945321
4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 145900911
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 59757968
6-(3,5-Dimethylpyrazolyl)-3-imidazolylpyridazine
CID 2998404
1-(1H-imidazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56714603
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902
2-[(4,4-difluoro-1-piperidinyl)methyl]-5-[(4-methyl-1H-imidazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56918064
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)propanamide
CID 110243350
2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193829
7-Imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 35417569
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1H-pyrazol-1-yl)pyrimidine
CID 1376774

Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine (CID 126836765) is 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine is Cc1cc(C(F)F)n(-c2cc(N(C)Cc3ncc[nH]3)ncn2)n1.
What is the InChIKey of 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is AWGITHTVNDUFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N7/c1-9-5-10(14(15)16)23(21-9)13-6-12(19-8-20-13)22(2)7-11-17-3-4-18-11/h3-6,8,14H,7H2,1-2H3,(H,17,18).
What are the key properties of 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine?
6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 319.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 126836765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).