4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine

C21H29FN6 — CID 19140549

IUPAC4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESCCC1CCCCN1c1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N
InChIInChI=1S/C21H29FN6/c1-2-17-5-3-4-10-28(17)21-19(23)20(24-15-25-21)27-13-11-26(12-14-27)18-8-6-16(22)7-9-18/h6-9,15,17H,2-5,10-14,23H2,1H3
InChIKeyBPCLQRABHAWSLD-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.29
Rot. Bonds4

About 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine

4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (PubChem CID 19140549) has the molecular formula C21H29FN6 and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
PubChem CID19140549
Molecular FormulaC21H29FN6
Molecular Weight384.50 g/mol
Exact Mass384.24
IUPAC Name4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESCCC1CCCCN1c1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N
InChIInChI=1S/C21H29FN6/c1-2-17-5-3-4-10-28(17)21-19(23)20(24-15-25-21)27-13-11-26(12-14-27)18-8-6-16(22)7-9-18/h6-9,15,17H,2-5,10-14,23H2,1H3
InChIKeyBPCLQRABHAWSLD-UHFFFAOYSA-N
XLogP3.29
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19140506
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19136715
4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576
4-(2-ethylpiperidin-1-yl)-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19140445
4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19140492
4-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 79915702
4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546179
6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19140543
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 19140572
4-(2-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137626

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (CID 19140549) is 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is CCC1CCCCN1c1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is BPCLQRABHAWSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN6/c1-2-17-5-3-4-10-28(17)21-19(23)20(24-15-25-21)27-13-11-26(12-14-27)18-8-6-16(22)7-9-18/h6-9,15,17H,2-5,10-14,23H2,1H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 384.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 19140549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).