4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C20H23N5 — CID 112893329

IUPAC4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C20H23N5/c1-16(2)25(15-17-8-4-3-5-9-17)19-11-13-22-20(24-19)23-14-18-10-6-7-12-21-18/h3-13,16H,14-15H2,1-2H3,(H,22,23,24)
InChIKeyXGYQKDQIEMPFPK-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.90
Rot. Bonds7

About 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112893329) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112893329
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C20H23N5/c1-16(2)25(15-17-8-4-3-5-9-17)19-11-13-22-20(24-19)23-14-18-10-6-7-12-21-18/h3-13,16H,14-15H2,1-2H3,(H,22,23,24)
InChIKeyXGYQKDQIEMPFPK-UHFFFAOYSA-N
XLogP3.90
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919288
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893856
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891807
4-N-benzyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882729
4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900009
4-N-benzyl-2-N-(2-chlorophenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900027
N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
4-[[4-[benzyl(propan-2-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 112900070
N-benzyl-6-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62284777
methyl 3-[[4-[benzyl(propan-2-yl)amino]pyrimidin-2-yl]amino]benzoate
CID 112900053

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112893329) is 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is CC(C)N(Cc1ccccc1)c1ccnc(NCc2ccccn2)n1.
What is the InChIKey of 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is XGYQKDQIEMPFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-16(2)25(15-17-8-4-3-5-9-17)19-11-13-22-20(24-19)23-14-18-10-6-7-12-21-18/h3-13,16H,14-15H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112893329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).