1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine

C12H19F2N3 — CID 114206931

IUPAC1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(CC(C)(C)C)nc1C(F)F
InChIInChI=1S/C12H19F2N3/c1-12(2,3)5-9-16-7-8(6-15-4)10(17-9)11(13)14/h7,11,15H,5-6H2,1-4H3
InChIKeyAYHJWVNOKTVJIM-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.72
Rot. Bonds4

About 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine

1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 114206931) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID114206931
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(CC(C)(C)C)nc1C(F)F
InChIInChI=1S/C12H19F2N3/c1-12(2,3)5-9-16-7-8(6-15-4)10(17-9)11(13)14/h7,11,15H,5-6H2,1-4H3
InChIKeyAYHJWVNOKTVJIM-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(butan-2-ylsulfanylmethyl)-4-(difluoromethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206939
1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine
CID 114206934
1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 63891756
N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine
CID 114206620
[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol
CID 130482994
[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
CID 126974118
2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303735
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 63891334
N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
CID 83188748
N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206828
N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine
CID 83189501
2-(2,2-dimethylpropyl)-5-ethylpyrimidine
CID 146228147

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine (CID 114206931) is 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(CC(C)(C)C)nc1C(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is AYHJWVNOKTVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-12(2,3)5-9-16-7-8(6-15-4)10(17-9)11(13)14/h7,11,15H,5-6H2,1-4H3.
What are the key properties of 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 243.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114206931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).