4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine

C16H23N5 — CID 106761086

IUPAC4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-8-14-19-15(17)11(2)16(20-14)18-12-9-6-7-10-13(12)21(3)4/h6-7,9-10H,5,8H2,1-4H3,(H3,17,18,19,20)
InChIKeySESCPRQMKUSKOZ-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.13
Rot. Bonds5

About 4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 106761086) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID106761086
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-8-14-19-15(17)11(2)16(20-14)18-12-9-6-7-10-13(12)21(3)4/h6-7,9-10H,5,8H2,1-4H3,(H3,17,18,19,20)
InChIKeySESCPRQMKUSKOZ-UHFFFAOYSA-N
XLogP3.13
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(methoxymethyl)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80986562
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992
4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 106761016
4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 106761041
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80993652
5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
CID 80981407
4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 102855436
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80991950
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976900
4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80977407
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine (CID 106761086) is 4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(Nc2ccccc2N(C)C)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is SESCPRQMKUSKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-8-14-19-15(17)11(2)16(20-14)18-12-9-6-7-10-13(12)21(3)4/h6-7,9-10H,5,8H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 285.40 g/mol, XLogP of 3.13, 5 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]-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106761086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).