1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine

C11H16F2N4 — CID 114206934

IUPAC1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCC2)nc1C(F)F
InChIInChI=1S/C11H16F2N4/c1-14-6-8-7-15-11(16-9(8)10(12)13)17-4-2-3-5-17/h7,10,14H,2-6H2,1H3
InChIKeyOCHRXELDELOGLH-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.73
Rot. Bonds4

About 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine

1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 114206934) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID114206934
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCC2)nc1C(F)F
InChIInChI=1S/C11H16F2N4/c1-14-6-8-7-15-11(16-9(8)10(12)13)17-4-2-3-5-17/h7,10,14H,2-6H2,1H3
InChIKeyOCHRXELDELOGLH-UHFFFAOYSA-N
XLogP1.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 170542917
N-methyl-1-(2-piperidin-1-yl-4-propylpyrimidin-5-yl)methanamine
CID 114206595
N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397
ethyl 2-(azepan-1-yl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 102973232
1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206931
1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186326
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine
CID 83185204
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430
1-[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186471
1-[2-(butan-2-ylsulfanylmethyl)-4-(difluoromethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206939
1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189014

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine (CID 114206934) is 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(N2CCCC2)nc1C(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is OCHRXELDELOGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-14-6-8-7-15-11(16-9(8)10(12)13)17-4-2-3-5-17/h7,10,14H,2-6H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine?
1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 242.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114206934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).