5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine

C20H29N7 — CID 72885098

IUPAC5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine
SMILESCCCc1cncnc1N1CCC(N2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C20H29N7/c1-2-3-17-14-22-16-24-20(17)27-8-4-18(5-9-27)25-10-12-26(13-11-25)19-15-21-6-7-23-19/h6-7,14-16,18H,2-5,8-13H2,1H3
InChIKeySMWXTCAHJZMELK-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.01
Rot. Bonds5

About 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine

5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine (PubChem CID 72885098) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine
PubChem CID72885098
Molecular FormulaC20H29N7
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC Name5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine
SMILESCCCc1cncnc1N1CCC(N2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C20H29N7/c1-2-3-17-14-22-16-24-20(17)27-8-4-18(5-9-27)25-10-12-26(13-11-25)19-15-21-6-7-23-19/h6-7,14-16,18H,2-5,8-13H2,1H3
InChIKeySMWXTCAHJZMELK-UHFFFAOYSA-N
XLogP2.01
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine (CID 72885098) is 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine is CCCc1cncnc1N1CCC(N2CCN(c3cnccn3)CC2)CC1.
What is the InChIKey of 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine?
The InChIKey is SMWXTCAHJZMELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7/c1-2-3-17-14-22-16-24-20(17)27-8-4-18(5-9-27)25-10-12-26(13-11-25)19-15-21-6-7-23-19/h6-7,14-16,18H,2-5,8-13H2,1H3.
What are the key properties of 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine?
5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine has a molecular weight of 367.50 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72885098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).