4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine

C14H24FN5 — CID 80856544

IUPAC4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCCC(N(C)C)C2)n1
InChIInChI=1S/C14H24FN5/c1-4-7-16-14-17-9-12(15)13(18-14)20-8-5-6-11(10-20)19(2)3/h9,11H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyQNPNJOHQCDTHFL-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.97
Rot. Bonds5

About 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine

4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80856544) has the molecular formula C14H24FN5 and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80856544
Molecular FormulaC14H24FN5
Molecular Weight281.38 g/mol
Exact Mass281.20
IUPAC Name4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCCC(N(C)C)C2)n1
InChIInChI=1S/C14H24FN5/c1-4-7-16-14-17-9-12(15)13(18-14)20-8-5-6-11(10-20)19(2)3/h9,11H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyQNPNJOHQCDTHFL-UHFFFAOYSA-N
XLogP1.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 115563063
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
4-(2,3-dimethylpiperidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80822054
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
CID 80780024
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 102729112
5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80766794
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754662
4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80806454
5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80836408
5-methyl-N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80829879
5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80806455

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine (CID 80856544) is 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(N2CCCC(N(C)C)C2)n1.
What is the InChIKey of 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is QNPNJOHQCDTHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5/c1-4-7-16-14-17-9-12(15)13(18-14)20-8-5-6-11(10-20)19(2)3/h9,11H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine?
4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80856544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).