4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine

C12H20FN5 — CID 70976708

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine
SMILESCN(C)CC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C12H20FN5/c1-17(2)8-9-3-5-18(6-4-9)11-10(13)7-15-12(14)16-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16)
InChIKeyHBIVPASNQFPWMU-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.98
Rot. Bonds3

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine

4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine (PubChem CID 70976708) has the molecular formula C12H20FN5 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine
PubChem CID70976708
Molecular FormulaC12H20FN5
Molecular Weight253.32 g/mol
Exact Mass253.17
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine
SMILESCN(C)CC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C12H20FN5/c1-17(2)8-9-3-5-18(6-4-9)11-10(13)7-15-12(14)16-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16)
InChIKeyHBIVPASNQFPWMU-UHFFFAOYSA-N
XLogP0.98
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486
4-Piperidin-1-ylpyrimidin-2-amine
CID 295758
1-(2-Pyrimidinyl)-4-piperidinemethanamine
CID 10631607
2-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
2-Chloro-4-(4-methylpiperidin-1-yl)pyrimidine
CID 21939227
4-Amino-2-(4-methyl-1-piperidinyl)-5-pyrimidinecarbonitrile
CID 25020934
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine
CID 71978664
5-Methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 72872800

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine (CID 70976708) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine is CN(C)CC1CCN(c2nc(N)ncc2F)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is HBIVPASNQFPWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5/c1-17(2)8-9-3-5-18(6-4-9)11-10(13)7-15-12(14)16-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine has a molecular weight of 253.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 70976708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).