2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine

C28H36N6 — CID 117081882

IUPAC2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESc1ccc(CN2CCC(Nc3ccnc(NC4CCN(Cc5ccccc5)CC4)n3)CC2)cc1
InChIInChI=1S/C28H36N6/c1-3-7-23(8-4-1)21-33-17-12-25(13-18-33)30-27-11-16-29-28(32-27)31-26-14-19-34(20-15-26)22-24-9-5-2-6-10-24/h1-11,16,25-26H,12-15,17-22H2,(H2,29,30,31,32)
InChIKeyBLCILHQVOTYEHN-UHFFFAOYSA-N
MW456.64 g/mol
LogP4.63
Rot. Bonds8

About 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine

2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 117081882) has the molecular formula C28H36N6 and a molecular weight of 456.64 g/mol. Its IUPAC name is 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID117081882
Molecular FormulaC28H36N6
Molecular Weight456.64 g/mol
Exact Mass456.30
IUPAC Name2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESc1ccc(CN2CCC(Nc3ccnc(NC4CCN(Cc5ccccc5)CC4)n3)CC2)cc1
InChIInChI=1S/C28H36N6/c1-3-7-23(8-4-1)21-33-17-12-25(13-18-33)30-27-11-16-29-28(32-27)31-26-14-19-34(20-15-26)22-24-9-5-2-6-10-24/h1-11,16,25-26H,12-15,17-22H2,(H2,29,30,31,32)
InChIKeyBLCILHQVOTYEHN-UHFFFAOYSA-N
XLogP4.63
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.64
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine 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

4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 117078917
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
2-(1-benzothiophen-3-yl)-N-(1-benzylpiperidin-4-yl)pyrimidin-4-amine
CID 117091888
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 167810243
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 117081882) is 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine is c1ccc(CN2CCC(Nc3ccnc(NC4CCN(Cc5ccccc5)CC4)n3)CC2)cc1.
What is the InChIKey of 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is BLCILHQVOTYEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6/c1-3-7-23(8-4-1)21-33-17-12-25(13-18-33)30-27-11-16-29-28(32-27)31-26-14-19-34(20-15-26)22-24-9-5-2-6-10-24/h1-11,16,25-26H,12-15,17-22H2,(H2,29,30,31,32).
What are the key properties of 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine?
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 456.64 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117081882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).