4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C20H23N5 — CID 112860753

IUPAC4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)N(Cc1ccccc1)c1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C20H23N5/c1-16(2)25(14-17-7-4-3-5-8-17)20-11-19(23-15-24-20)22-13-18-9-6-10-21-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,22,23,24)
InChIKeyNWOHTCOZBVOCEL-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.90
Rot. Bonds7

About 4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112860753) 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-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112860753
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(C)N(Cc1ccccc1)c1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C20H23N5/c1-16(2)25(14-17-7-4-3-5-8-17)20-11-19(23-15-24-20)22-13-18-9-6-10-21-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,22,23,24)
InChIKeyNWOHTCOZBVOCEL-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

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Related Compounds

4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780
4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112855887
4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112856249
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 118029133
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893856
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112859559
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82453638
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
4-N-benzyl-6-N-(1,1-dioxothiolan-3-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112861941
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 112860753) is 4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is CC(C)N(Cc1ccccc1)c1cc(NCc2cccnc2)ncn1.
What is the InChIKey of 4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is NWOHTCOZBVOCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-16(2)25(14-17-7-4-3-5-8-17)20-11-19(23-15-24-20)22-13-18-9-6-10-21-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-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-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112860753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).