N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H19F3N4 — CID 56788733

IUPACN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cn2c(C)cc(C)nc2n1)CC(F)(F)F
InChIInChI=1S/C14H19F3N4/c1-4-5-20(9-14(15,16)17)7-12-8-21-11(3)6-10(2)18-13(21)19-12/h6,8H,4-5,7,9H2,1-3H3
InChIKeyQPCGVHGNOQFLGJ-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.12
Rot. Bonds5

About N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 56788733) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID56788733
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC NameN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cn2c(C)cc(C)nc2n1)CC(F)(F)F
InChIInChI=1S/C14H19F3N4/c1-4-5-20(9-14(15,16)17)7-12-8-21-11(3)6-10(2)18-13(21)19-12/h6,8H,4-5,7,9H2,1-3H3
InChIKeyQPCGVHGNOQFLGJ-UHFFFAOYSA-N
XLogP3.12
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 56788733) is N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1cn2c(C)cc(C)nc2n1)CC(F)(F)F.
What is the InChIKey of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is QPCGVHGNOQFLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-4-5-20(9-14(15,16)17)7-12-8-21-11(3)6-10(2)18-13(21)19-12/h6,8H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 300.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 56788733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).