6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

C18H26N4 — CID 112871547

IUPAC6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCc2ccccc2)nc(C)n1
InChIInChI=1S/C18H26N4/c1-4-11-22(12-5-2)18-13-17(20-15(3)21-18)19-14-16-9-7-6-8-10-16/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,19,20,21)
InChIKeyBXRXRQYAUBWMBI-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.02
Rot. Bonds8

About 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (PubChem CID 112871547) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
PubChem CID112871547
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCc2ccccc2)nc(C)n1
InChIInChI=1S/C18H26N4/c1-4-11-22(12-5-2)18-13-17(20-15(3)21-18)19-14-16-9-7-6-8-10-16/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,19,20,21)
InChIKeyBXRXRQYAUBWMBI-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112872614
2-methyl-4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873254
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112874976
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109368269
6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876654
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870518
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112872603
4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112873142
4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872925
5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112947577
6-N-(4-chlorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876660

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (CID 112871547) is 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is CCCN(CCC)c1cc(NCc2ccccc2)nc(C)n1.
What is the InChIKey of 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is BXRXRQYAUBWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-11-22(12-5-2)18-13-17(20-15(3)21-18)19-14-16-9-7-6-8-10-16/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,19,20,21).
What are the key properties of 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112871547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).