4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine

C16H22FN5 — CID 67712976

IUPAC4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine
SMILESCC1=NC(NCN2CCNCC2)(c2ccc(F)cc2)C=CN1
InChIInChI=1S/C16H22FN5/c1-13-19-7-6-16(21-13,14-2-4-15(17)5-3-14)20-12-22-10-8-18-9-11-22/h2-7,18,20H,8-12H2,1H3,(H,19,21)
InChIKeyVGIBKVJUKDMMQI-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.97
Rot. Bonds4

About 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine

4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine (PubChem CID 67712976) has the molecular formula C16H22FN5 and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine
PubChem CID67712976
Molecular FormulaC16H22FN5
Molecular Weight303.39 g/mol
Exact Mass303.19
IUPAC Name4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine
SMILESCC1=NC(NCN2CCNCC2)(c2ccc(F)cc2)C=CN1
InChIInChI=1S/C16H22FN5/c1-13-19-7-6-16(21-13,14-2-4-15(17)5-3-14)20-12-22-10-8-18-9-11-22/h2-7,18,20H,8-12H2,1H3,(H,19,21)
InChIKeyVGIBKVJUKDMMQI-UHFFFAOYSA-N
XLogP0.97
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419865
CID 44419866
CID 44419866
CID 44419867
CID 44419867
CID 44419878
CID 44419878
7-(4-methylphenyl)-5-piperazin-1-yl-2,3-dihydro-1H-1,4-diazepine
CID 44419888
N,N-diethyl-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419896
2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine
CID 10564413
1-[(2,4-difluorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
CID 10756202
N-[(3-Fluorophenyl)methyl]-4-{3-methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}piperazine-1-carboxamide
CID 53184244
4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(4-fluorobenzyl)tetrahydro-1(2H)-pyrazinecarboxamide
CID 53184332
"4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-fluorobenzyl)tetrahydro-1(2H)-pyrazinecarboxamide"
CID 87052650
N-[(3-methyl-2H-pyrazin-1-yl)methyl]-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine
CID 49775792

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine (CID 67712976) is 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine is CC1=NC(NCN2CCNCC2)(c2ccc(F)cc2)C=CN1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine?
The InChIKey is VGIBKVJUKDMMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5/c1-13-19-7-6-16(21-13,14-2-4-15(17)5-3-14)20-12-22-10-8-18-9-11-22/h2-7,18,20H,8-12H2,1H3,(H,19,21).
What are the key properties of 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine?
4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine has a molecular weight of 303.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-N-(piperazin-1-ylmethyl)-1H-pyrimidin-4-amine is sourced from PubChem (CID 67712976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).