2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C16H17F3N8 — CID 135374259

IUPAC2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C3CCn4ccnc43)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H17F3N8/c1-9-11(8-23-27(9)12-3-5-26-6-4-21-14(12)26)24-15-22-7-10(16(17,18)19)13(20-2)25-15/h4,6-8,12H,3,5H2,1-2H3,(H2,20,22,24,25)
InChIKeyHKDRQRIHGCNFHF-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.98
Rot. Bonds4

About 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 135374259) has the molecular formula C16H17F3N8 and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID135374259
Molecular FormulaC16H17F3N8
Molecular Weight378.36 g/mol
Exact Mass378.15
IUPAC Name2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C3CCn4ccnc43)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H17F3N8/c1-9-11(8-23-27(9)12-3-5-26-6-4-21-14(12)26)24-15-22-7-10(16(17,18)19)13(20-2)25-15/h4,6-8,12H,3,5H2,1-2H3,(H2,20,22,24,25)
InChIKeyHKDRQRIHGCNFHF-UHFFFAOYSA-N
XLogP2.98
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 135374259) is 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cnn(C3CCn4ccnc43)c2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HKDRQRIHGCNFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N8/c1-9-11(8-23-27(9)12-3-5-26-6-4-21-14(12)26)24-15-22-7-10(16(17,18)19)13(20-2)25-15/h4,6-8,12H,3,5H2,1-2H3,(H2,20,22,24,25).
What are the key properties of 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 378.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135374259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).