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

C17H19F3N8 — CID 140943452

IUPAC2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cn([C@@H]3CCn4ccnc43)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C17H19F3N8/c1-3-21-14-11(17(18,19)20)8-23-16(25-14)24-12-9-28(26-10(12)2)13-4-6-27-7-5-22-15(13)27/h5,7-9,13H,3-4,6H2,1-2H3,(H2,21,23,24,25)/t13-/m1/s1
InChIKeyQRBGSOCMZYWYPW-CYBMUJFWSA-N
MW392.39 g/mol
LogP3.37
Rot. Bonds5

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

2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 140943452) has the molecular formula C17H19F3N8 and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID140943452
Molecular FormulaC17H19F3N8
Molecular Weight392.39 g/mol
Exact Mass392.17
IUPAC Name2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cn([C@@H]3CCn4ccnc43)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C17H19F3N8/c1-3-21-14-11(17(18,19)20)8-23-16(25-14)24-12-9-28(26-10(12)2)13-4-6-27-7-5-22-15(13)27/h5,7-9,13H,3-4,6H2,1-2H3,(H2,21,23,24,25)/t13-/m1/s1
InChIKeyQRBGSOCMZYWYPW-CYBMUJFWSA-N
XLogP3.37
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 140943452) is 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2cn([C@@H]3CCn4ccnc43)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is QRBGSOCMZYWYPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19F3N8/c1-3-21-14-11(17(18,19)20)8-23-16(25-14)24-12-9-28(26-10(12)2)13-4-6-27-7-5-22-15(13)27/h5,7-9,13H,3-4,6H2,1-2H3,(H2,21,23,24,25)/t13-/m1/s1.
What are the key properties of 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 392.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 140943452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).