2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C20H23N5 — CID 112890972

IUPAC2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H23N5/c1-24(15-11-17-8-12-21-13-9-17)19-10-14-22-20(23-19)25(2)16-18-6-4-3-5-7-18/h3-10,12-14H,11,15-16H2,1-2H3
InChIKeyCQBIEHOAKDHYPR-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.19
Rot. Bonds7

About 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112890972) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112890972
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H23N5/c1-24(15-11-17-8-12-21-13-9-17)19-10-14-22-20(23-19)25(2)16-18-6-4-3-5-7-18/h3-10,12-14H,11,15-16H2,1-2H3
InChIKeyCQBIEHOAKDHYPR-UHFFFAOYSA-N
XLogP3.19
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112891014
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
4-N-benzyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889417
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890689
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 50959733
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887147
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921458
2-(4-ethylpiperazin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112888401

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112890972) is 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CN(CCc1ccncc1)c1ccnc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is CQBIEHOAKDHYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-24(15-11-17-8-12-21-13-9-17)19-10-14-22-20(23-19)25(2)16-18-6-4-3-5-7-18/h3-10,12-14H,11,15-16H2,1-2H3.
What are the key properties of 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112890972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).