6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

C11H17FN4 — CID 115416967

IUPAC6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCN(CCN1CCCC1)c1cc(F)ncn1
InChIInChI=1S/C11H17FN4/c1-15(6-7-16-4-2-3-5-16)11-8-10(12)13-9-14-11/h8-9H,2-7H2,1H3
InChIKeyQAZDEQKBQCZKEW-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.15
Rot. Bonds4

About 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (PubChem CID 115416967) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
PubChem CID115416967
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCN(CCN1CCCC1)c1cc(F)ncn1
InChIInChI=1S/C11H17FN4/c1-15(6-7-16-4-2-3-5-16)11-8-10(12)13-9-14-11/h8-9H,2-7H2,1H3
InChIKeyQAZDEQKBQCZKEW-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372852
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718436
6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 78926170
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63207878
N-[3-(azepan-1-yl)propyl]-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126444002
6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 63208877
6-fluoro-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 115416622
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine
CID 79826659
N-methyl-N-(2-pyrrolidin-1-ylethyl)quinolin-2-amine
CID 153322955
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114926419
6-fluoro-N,N-dipropylpyrimidin-4-amine
CID 115416385
4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63206874

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (CID 115416967) is 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is CN(CCN1CCCC1)c1cc(F)ncn1.
What is the InChIKey of 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is QAZDEQKBQCZKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-15(6-7-16-4-2-3-5-16)11-8-10(12)13-9-14-11/h8-9H,2-7H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 224.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 115416967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).