6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

C18H26N4 — CID 112859466

IUPAC6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C18H26N4/c1-4-11-22(12-5-2)18-13-17(19-15-20-18)21(3)14-16-9-7-6-8-10-16/h6-10,13,15H,4-5,11-12,14H2,1-3H3
InChIKeyLZAIDXMGLQBWJG-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.74
Rot. Bonds8

About 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (PubChem CID 112859466) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
PubChem CID112859466
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C18H26N4/c1-4-11-22(12-5-2)18-13-17(19-15-20-18)21(3)14-16-9-7-6-8-10-16/h6-10,13,15H,4-5,11-12,14H2,1-3H3
InChIKeyLZAIDXMGLQBWJG-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
6-N,6-N-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112863456
4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
CID 130551332
3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91775340
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
6-fluoro-N,N-dipropylpyrimidin-4-amine
CID 115416385
N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109347788
6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine
CID 100640999
N,N-dibenzyl-6-chloropyrimidin-4-amine
CID 130157763
N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 62285114
N-benzyl-N-propylaniline
CID 14671265

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (CID 112859466) is 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is CCCN(CCC)c1cc(N(C)Cc2ccccc2)ncn1.
What is the InChIKey of 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is LZAIDXMGLQBWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-11-22(12-5-2)18-13-17(19-15-20-18)21(3)14-16-9-7-6-8-10-16/h6-10,13,15H,4-5,11-12,14H2,1-3H3.
What are the key properties of 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112859466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).