1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine

C16H19FN4 — CID 117224095

IUPAC1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2ncc(Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C16H19FN4/c17-15-4-2-1-3-13(15)9-12-10-19-16(20-11-12)21-7-5-14(18)6-8-21/h1-4,10-11,14H,5-9,18H2
InChIKeyOJXVXXLXLRXPTM-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.13
Rot. Bonds3

About 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine

1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine (PubChem CID 117224095) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
PubChem CID117224095
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2ncc(Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C16H19FN4/c17-15-4-2-1-3-13(15)9-12-10-19-16(20-11-12)21-7-5-14(18)6-8-21/h1-4,10-11,14H,5-9,18H2
InChIKeyOJXVXXLXLRXPTM-UHFFFAOYSA-N
XLogP2.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SB-220025
CID 5164
Msx-122
CID 11687907
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464113
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(2-Carbamimidoylpyrimidin-5-yl)phenyl]pyrimidine-2-carboximidamide
CID 24752324
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
5-fluoro-N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857096

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine (CID 117224095) is 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine is NC1CCN(c2ncc(Cc3ccccc3F)cn2)CC1.
What is the InChIKey of 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is OJXVXXLXLRXPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c17-15-4-2-1-3-13(15)9-12-10-19-16(20-11-12)21-7-5-14(18)6-8-21/h1-4,10-11,14H,5-9,18H2.
What are the key properties of 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 286.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 117224095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).