N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine

C12H19F3N4 — CID 62283492

IUPACN-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(C)CC(F)(F)F
InChIInChI=1S/C12H19F3N4/c1-8(2)11-17-6-10(9(18-11)5-16-3)19(4)7-12(13,14)15/h6,8,16H,5,7H2,1-4H3
InChIKeyKAEJTXKPKGFFMV-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.32
Rot. Bonds5

About N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine

N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (PubChem CID 62283492) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
PubChem CID62283492
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC NameN-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(C)CC(F)(F)F
InChIInChI=1S/C12H19F3N4/c1-8(2)11-17-6-10(9(18-11)5-16-3)19(4)7-12(13,14)15/h6,8,16H,5,7H2,1-4H3
InChIKeyKAEJTXKPKGFFMV-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The IUPAC name of N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (CID 62283492) is N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is CNCc1nc(C(C)C)ncc1N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The InChIKey is KAEJTXKPKGFFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-8(2)11-17-6-10(9(18-11)5-16-3)19(4)7-12(13,14)15/h6,8,16H,5,7H2,1-4H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine has a molecular weight of 276.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is sourced from PubChem (CID 62283492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).