(6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine

C21H26N4 — CID 10359539

IUPAC(6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc(C2=NCC[C@@H](CN3CCN(c4ccccc4)CC3)N2)cc1
InChIInChI=1S/C21H26N4/c1-3-7-18(8-4-1)21-22-12-11-19(23-21)17-24-13-15-25(16-14-24)20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H,22,23)/t19-/m0/s1
InChIKeyBJWYIHWMKMZYRS-IBGZPJMESA-N
MW334.47 g/mol
LogP2.62
Rot. Bonds4

About (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine

(6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 10359539) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name(6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID10359539
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name(6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc(C2=NCC[C@@H](CN3CCN(c4ccccc4)CC3)N2)cc1
InChIInChI=1S/C21H26N4/c1-3-7-18(8-4-1)21-22-12-11-19(23-21)17-24-13-15-25(16-14-24)20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H,22,23)/t19-/m0/s1
InChIKeyBJWYIHWMKMZYRS-IBGZPJMESA-N
XLogP2.62
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine (CID 10359539) is (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine is c1ccc(C2=NCC[C@@H](CN3CCN(c4ccccc4)CC3)N2)cc1.
What is the InChIKey of (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is BJWYIHWMKMZYRS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4/c1-3-7-18(8-4-1)21-22-12-11-19(23-21)17-24-13-15-25(16-14-24)20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H,22,23)/t19-/m0/s1.
What are the key properties of (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine?
(6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 334.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 10359539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).