2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine

C24H30N6 — CID 3006261

IUPAC2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1cc(N2CCN(c3ccc(C4=NCCCN4)cc3)CC2)ccc1C1=NCCCN1
InChIInChI=1S/C24H30N6/c1-11-25-23(26-12-1)19-3-7-21(8-4-19)29-15-17-30(18-16-29)22-9-5-20(6-10-22)24-27-13-2-14-28-24/h3-10H,1-2,11-18H2,(H,25,26)(H,27,28)
InChIKeyZWEXWKWRQUJAHI-UHFFFAOYSA-N
MW402.55 g/mol
LogP2.49
Rot. Bonds4

About 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine

2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 3006261) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID3006261
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC Name2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1cc(N2CCN(c3ccc(C4=NCCCN4)cc3)CC2)ccc1C1=NCCCN1
InChIInChI=1S/C24H30N6/c1-11-25-23(26-12-1)19-3-7-21(8-4-19)29-15-17-30(18-16-29)22-9-5-20(6-10-22)24-27-13-2-14-28-24/h3-10H,1-2,11-18H2,(H,25,26)(H,27,28)
InChIKeyZWEXWKWRQUJAHI-UHFFFAOYSA-N
XLogP2.49
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine (CID 3006261) is 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine is c1cc(N2CCN(c3ccc(C4=NCCCN4)cc3)CC2)ccc1C1=NCCCN1.
What is the InChIKey of 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ZWEXWKWRQUJAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-11-25-23(26-12-1)19-3-7-21(8-4-19)29-15-17-30(18-16-29)22-9-5-20(6-10-22)24-27-13-2-14-28-24/h3-10H,1-2,11-18H2,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 402.55 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 3006261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).