4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine

C16H23N5 — CID 106761041

IUPAC4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-8-14-19-15(17-2)11-16(20-14)18-12-9-6-7-10-13(12)21(3)4/h6-7,9-11H,5,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyOIOZCRZSXJVHDM-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.28
Rot. Bonds6

About 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 106761041) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID106761041
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-8-14-19-15(17-2)11-16(20-14)18-12-9-6-7-10-13(12)21(3)4/h6-7,9-11H,5,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyOIOZCRZSXJVHDM-UHFFFAOYSA-N
XLogP3.28
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761121
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 82758688
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80945398
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80949746
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80944386
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 107855396
4-bromo-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]benzonitrile
CID 107801750

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine (CID 106761041) is 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(Nc2ccccc2N(C)C)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is OIOZCRZSXJVHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-8-14-19-15(17-2)11-16(20-14)18-12-9-6-7-10-13(12)21(3)4/h6-7,9-11H,5,8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 285.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106761041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).