5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

C18H26N6 — CID 2811492

IUPAC5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCCCc1cnc(N2CCN(c3ncc(CCC)cn3)CC2)nc1
InChIInChI=1S/C18H26N6/c1-3-5-15-11-19-17(20-12-15)23-7-9-24(10-8-23)18-21-13-16(6-4-2)14-22-18/h11-14H,3-10H2,1-2H3
InChIKeyMEXJCBSCCGQRCI-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.50
Rot. Bonds6

About 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 2811492) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
PubChem CID2811492
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCCCc1cnc(N2CCN(c3ncc(CCC)cn3)CC2)nc1
InChIInChI=1S/C18H26N6/c1-3-5-15-11-19-17(20-12-15)23-7-9-24(10-8-23)18-21-13-16(6-4-2)14-22-18/h11-14H,3-10H2,1-2H3
InChIKeyMEXJCBSCCGQRCI-UHFFFAOYSA-N
XLogP2.50
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
1-(5-propylpyrimidin-2-yl)piperidine-4-sulfonic acid
CID 151995167
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine
CID 56876557
[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methanesulfonic acid
CID 86658031
5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
CID 168923337
3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
CID 131930031
(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 145380251
(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 135096991
1-(5-hexylpyrimidin-2-yl)piperidin-4-amine
CID 103278601
2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 116976846

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (CID 2811492) is 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is CCCc1cnc(N2CCN(c3ncc(CCC)cn3)CC2)nc1.
What is the InChIKey of 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is MEXJCBSCCGQRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-3-5-15-11-19-17(20-12-15)23-7-9-24(10-8-23)18-21-13-16(6-4-2)14-22-18/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 326.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 2811492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).