6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine

C16H20FN5 — CID 133421395

IUPAC6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine
SMILESCCc1ncnc(Nc2ccc(N3CCCC3)nc2C)c1F
InChIInChI=1S/C16H20FN5/c1-3-12-15(17)16(19-10-18-12)21-13-6-7-14(20-11(13)2)22-8-4-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyABELWGYLEOWHTA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.23
Rot. Bonds4

About 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 133421395) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine
PubChem CID133421395
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine
SMILESCCc1ncnc(Nc2ccc(N3CCCC3)nc2C)c1F
InChIInChI=1S/C16H20FN5/c1-3-12-15(17)16(19-10-18-12)21-13-6-7-14(20-11(13)2)22-8-4-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyABELWGYLEOWHTA-UHFFFAOYSA-N
XLogP3.23
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cruzain-IN-1
CID 44143088
N-(3-(1H-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamine
CID 163890
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
4-[5-(4-Fluoro-phenyl)-3-(2,2,6,6-tetramethyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 10475737
N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}-3-(Pyridin-3-Yl)propan-1-Amine
CID 118656419
4-(2-Methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 6539018
(9-Methyl-9H-purin-6-yl)-phenyl-amine
CID 13439250
2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 3165129
N-phenyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1478450

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine (CID 133421395) is 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine is CCc1ncnc(Nc2ccc(N3CCCC3)nc2C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is ABELWGYLEOWHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-3-12-15(17)16(19-10-18-12)21-13-6-7-14(20-11(13)2)22-8-4-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 133421395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).