4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine

C12H19FN4 — CID 115416914

IUPAC4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
SMILESCC(C)CN1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C12H19FN4/c1-10(2)8-16-3-5-17(6-4-16)12-7-11(13)14-9-15-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyAMWCELQCQQSFCS-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.39
Rot. Bonds3

About 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine

4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine (PubChem CID 115416914) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
PubChem CID115416914
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
SMILESCC(C)CN1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C12H19FN4/c1-10(2)8-16-3-5-17(6-4-16)12-7-11(13)14-9-15-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyAMWCELQCQQSFCS-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180
4-(4-Methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-ylamine
CID 25130912
N2-isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 53233801
n4-Isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54585781
N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 54754351
N-(3,3-dimethylbutyl)-6-(piperazin-1-yl)pyrimidin-4-amine
CID 57394628
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 57399829
6-(4-Methylpiperazin-1-yl)-N-neopentylpyrimidin-4-amine
CID 57403350

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine (CID 115416914) is 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine is CC(C)CN1CCN(c2cc(F)ncn2)CC1.
What is the InChIKey of 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine?
The InChIKey is AMWCELQCQQSFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-10(2)8-16-3-5-17(6-4-16)12-7-11(13)14-9-15-12/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine?
4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine has a molecular weight of 238.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 115416914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).