2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine

C16H18ClF3N8 — CID 164740919

IUPAC2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine
SMILESCc1nn(C2CCn3cc(Cl)nc32)cc1NC1N=C(N)C(C(F)(F)F)=CN1C
InChIInChI=1S/C16H18ClF3N8/c1-8-10(22-15-24-13(21)9(5-26(15)2)16(18,19)20)6-28(25-8)11-3-4-27-7-12(17)23-14(11)27/h5-7,11,15,22H,3-4H2,1-2H3,(H2,21,24)
InChIKeyZEAMKVDMBYOWGO-UHFFFAOYSA-N
MW414.82 g/mol
LogP2.48
Rot. Bonds3

About 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine

2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine (PubChem CID 164740919) has the molecular formula C16H18ClF3N8 and a molecular weight of 414.82 g/mol. Its IUPAC name is 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine
PubChem CID164740919
Molecular FormulaC16H18ClF3N8
Molecular Weight414.82 g/mol
Exact Mass414.13
IUPAC Name2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine
SMILESCc1nn(C2CCn3cc(Cl)nc32)cc1NC1N=C(N)C(C(F)(F)F)=CN1C
InChIInChI=1S/C16H18ClF3N8/c1-8-10(22-15-24-13(21)9(5-26(15)2)16(18,19)20)6-28(25-8)11-3-4-27-7-12(17)23-14(11)27/h5-7,11,15,22H,3-4H2,1-2H3,(H2,21,24)
InChIKeyZEAMKVDMBYOWGO-UHFFFAOYSA-N
XLogP2.48
TPSA89.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 166595916
CID 166595916
CID 135374253
CID 135374253
CID 135374259
CID 135374259
CID 135374441
CID 135374441
CID 135374448
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CID 140943350

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine (CID 164740919) is 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine is Cc1nn(C2CCn3cc(Cl)nc32)cc1NC1N=C(N)C(C(F)(F)F)=CN1C.
What is the InChIKey of 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine?
The InChIKey is ZEAMKVDMBYOWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N8/c1-8-10(22-15-24-13(21)9(5-26(15)2)16(18,19)20)6-28(25-8)11-3-4-27-7-12(17)23-14(11)27/h5-7,11,15,22H,3-4H2,1-2H3,(H2,21,24).
What are the key properties of 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine?
2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine has a molecular weight of 414.82 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)-2H-pyrimidine-2,4-diamine is sourced from PubChem (CID 164740919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).