1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine

C18H26N4 — CID 133479946

IUPAC1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
SMILESCc1cnc(NC(CN(C)Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C18H26N4/c1-14(2)17(21-18-19-10-15(3)11-20-18)13-22(4)12-16-8-6-5-7-9-16/h5-11,14,17H,12-13H2,1-4H3,(H,19,20,21)
InChIKeyLNWWDRYYCBVSNV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.35
Rot. Bonds7

About 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine

1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine (PubChem CID 133479946) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
PubChem CID133479946
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
SMILESCc1cnc(NC(CN(C)Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C18H26N4/c1-14(2)17(21-18-19-10-15(3)11-20-18)13-22(4)12-16-8-6-5-7-9-16/h5-11,14,17H,12-13H2,1-4H3,(H,19,20,21)
InChIKeyLNWWDRYYCBVSNV-UHFFFAOYSA-N
XLogP3.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
5-methyl-N-(2-methylpentan-3-yl)pyrimidin-2-amine
CID 63208029
2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 104606185
4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858162
N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 130847733
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,5-diamine
CID 61476180
1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 133435889
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
1-N-benzyl-1-N-methyl-2-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]propane-1,2-diamine
CID 133435816
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657
(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide
CID 99785131
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
CID 162416433

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
The IUPAC name of 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine (CID 133479946) is 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine is Cc1cnc(NC(CN(C)Cc2ccccc2)C(C)C)nc1.
What is the InChIKey of 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
The InChIKey is LNWWDRYYCBVSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14(2)17(21-18-19-10-15(3)11-20-18)13-22(4)12-16-8-6-5-7-9-16/h5-11,14,17H,12-13H2,1-4H3,(H,19,20,21).
What are the key properties of 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 133479946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).