2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine

C22H25N7 — CID 112879979

IUPAC2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(-c2nc(N3CCCC3)cc(N3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C22H25N7/c1-2-7-18(8-3-1)21-25-19(27-11-4-5-12-27)17-20(26-21)28-13-15-29(16-14-28)22-23-9-6-10-24-22/h1-3,6-10,17H,4-5,11-16H2
InChIKeySYMMXIINVXSAEQ-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.86
Rot. Bonds4

About 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine

2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine (PubChem CID 112879979) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
PubChem CID112879979
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(-c2nc(N3CCCC3)cc(N3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C22H25N7/c1-2-7-18(8-3-1)21-25-19(27-11-4-5-12-27)17-20(26-21)28-13-15-29(16-14-28)22-23-9-6-10-24-22/h1-3,6-10,17H,4-5,11-16H2
InChIKeySYMMXIINVXSAEQ-UHFFFAOYSA-N
XLogP2.86
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112881555
2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112879634
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
CID 10358975
4-[6-(4-formylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881060
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
CID 56766861
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine (CID 112879979) is 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine is c1ccc(-c2nc(N3CCCC3)cc(N3CCN(c4ncccn4)CC3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is SYMMXIINVXSAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-2-7-18(8-3-1)21-25-19(27-11-4-5-12-27)17-20(26-21)28-13-15-29(16-14-28)22-23-9-6-10-24-22/h1-3,6-10,17H,4-5,11-16H2.
What are the key properties of 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 387.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112879979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).