2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

C18H24FN5 — CID 146074499

IUPAC2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H24FN5/c1-14-11-17(22(2)3)21-18(20-14)24-9-7-23(8-10-24)13-15-5-4-6-16(19)12-15/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyBLMZJURAMMEBRI-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.31
Rot. Bonds4

About 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (PubChem CID 146074499) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
PubChem CID146074499
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H24FN5/c1-14-11-17(22(2)3)21-18(20-14)24-9-7-23(8-10-24)13-15-5-4-6-16(19)12-15/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyBLMZJURAMMEBRI-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-butyl-N,6-dimethylpyrimidin-4-amine
CID 112922133
2-(4-benzylpiperazin-1-yl)-6-N-(4-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863852
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165432979
1-(4,6-dimethylpyrimidin-2-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 78845397
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165433876
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
CID 46998417
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 90507425
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine
CID 127265450
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 146074504
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 10203425

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (CID 146074499) is 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is Cc1cc(N(C)C)nc(N2CCN(Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The InChIKey is BLMZJURAMMEBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-14-11-17(22(2)3)21-18(20-14)24-9-7-23(8-10-24)13-15-5-4-6-16(19)12-15/h4-6,11-12H,7-10,13H2,1-3H3.
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine has a molecular weight of 329.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 146074499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).