1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine

C11H17FN4 — CID 115417231

IUPAC1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2cc(F)ncn2)CC1N(C)C
InChIInChI=1S/C11H17FN4/c1-8-5-16(6-9(8)15(2)3)11-4-10(12)13-7-14-11/h4,7-9H,5-6H2,1-3H3
InChIKeyRGXHIVGOMGTXSW-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.00
Rot. Bonds2

About 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine

1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 115417231) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID115417231
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2cc(F)ncn2)CC1N(C)C
InChIInChI=1S/C11H17FN4/c1-8-5-16(6-9(8)15(2)3)11-4-10(12)13-7-14-11/h4,7-9H,5-6H2,1-3H3
InChIKeyRGXHIVGOMGTXSW-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Adriforant
CID 24745335
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 44126357
(R)-N4-isopropyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54584824
n-(3.3-Dimethylbutyl)-n'-[(3r)-pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 57394626
6-N-(3,3-dimethylbutyl)-4-N-[(3S)-1-methylpyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 57394627
6-N-(3,3-dimethylbutyl)-4-N-[(3S)-pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 57395620
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine
CID 57403351
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227319

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine (CID 115417231) is 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(c2cc(F)ncn2)CC1N(C)C.
What is the InChIKey of 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is RGXHIVGOMGTXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-8-5-16(6-9(8)15(2)3)11-4-10(12)13-7-14-11/h4,7-9H,5-6H2,1-3H3.
What are the key properties of 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 224.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 115417231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).