4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine

C16H22N4 — CID 80753731

IUPAC4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-10-17-16-18-11-13(2)15(19-16)20(3)12-14-8-6-5-7-9-14/h5-9,11H,4,10,12H2,1-3H3,(H,17,18,19)
InChIKeyOMVCKXLQYDYIFA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.24
Rot. Bonds6

About 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine

4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80753731) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80753731
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-10-17-16-18-11-13(2)15(19-16)20(3)12-14-8-6-5-7-9-14/h5-9,11H,4,10,12H2,1-3H3,(H,17,18,19)
InChIKeyOMVCKXLQYDYIFA-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80750096
4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80787782
4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80829683
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80777490
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845865
2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794156
4-N,5-dimethyl-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80750116
4-N,5-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80831497
4-N-[3-(dimethylamino)propyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845968

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine (CID 80753731) is 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(N(C)Cc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is OMVCKXLQYDYIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-10-17-16-18-11-13(2)15(19-16)20(3)12-14-8-6-5-7-9-14/h5-9,11H,4,10,12H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine?
4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80753731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).