4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine

C18H27N5 — CID 23653229

IUPAC4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(C)c1Nc1nccc(NCCC(C)N(C)C)n1
InChIInChI=1S/C18H27N5/c1-13-7-6-8-14(2)17(13)22-18-20-12-10-16(21-18)19-11-9-15(3)23(4)5/h6-8,10,12,15H,9,11H2,1-5H3,(H2,19,20,21,22)
InChIKeyVPIUYGCWJOSBJR-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.59
Rot. Bonds7

About 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine

4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 23653229) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
PubChem CID23653229
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(C)c1Nc1nccc(NCCC(C)N(C)C)n1
InChIInChI=1S/C18H27N5/c1-13-7-6-8-14(2)17(13)22-18-20-12-10-16(21-18)19-11-9-15(3)23(4)5/h6-8,10,12,15H,9,11H2,1-5H3,(H2,19,20,21,22)
InChIKeyVPIUYGCWJOSBJR-UHFFFAOYSA-N
XLogP3.59
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,6-dimethylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112893984
2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112900250
4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112884209
4-N-(3-methylbutyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112900149
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899709
4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881957
2-N-(2,6-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896703
2-N-(2-ethyl-6-methylphenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894721
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
4-N-[4-(dimethylamino)phenyl]-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903306

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine (CID 23653229) is 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine is Cc1cccc(C)c1Nc1nccc(NCCC(C)N(C)C)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is VPIUYGCWJOSBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-13-7-6-8-14(2)17(13)22-18-20-12-10-16(21-18)19-11-9-15(3)23(4)5/h6-8,10,12,15H,9,11H2,1-5H3,(H2,19,20,21,22).
What are the key properties of 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 313.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 23653229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).