2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C13H14F3N5O — CID 131988102

IUPAC2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C13H14F3N5O/c1-6-4-8(17)19-11-9(18-5-21(6)11)12(22)20-10(7-2-3-7)13(14,15)16/h4-5,7,10H,2-3H2,1H3,(H2,17,19)(H,20,22)
InChIKeyIFRMQPZAXJOMHC-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131988102) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131988102
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C13H14F3N5O/c1-6-4-8(17)19-11-9(18-5-21(6)11)12(22)20-10(7-2-3-7)13(14,15)16/h4-5,7,10H,2-3H2,1H3,(H2,17,19)(H,20,22)
InChIKeyIFRMQPZAXJOMHC-UHFFFAOYSA-N
XLogP1.69
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131988102) is 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.
What is the InChIKey of 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is IFRMQPZAXJOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-6-4-8(17)19-11-9(18-5-21(6)11)12(22)20-10(7-2-3-7)13(14,15)16/h4-5,7,10H,2-3H2,1H3,(H2,17,19)(H,20,22).
What are the key properties of 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131988102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).