4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine

C17H24N4 — CID 80829683

IUPAC4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(C)CCc2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-11-18-17-19-13-14(2)16(20-17)21(3)12-10-15-8-6-5-7-9-15/h5-9,13H,4,10-12H2,1-3H3,(H,18,19,20)
InChIKeyUTYWDZWUVWMJEL-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.29
Rot. Bonds7

About 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine

4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80829683) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80829683
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(C)CCc2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-11-18-17-19-13-14(2)16(20-17)21(3)12-10-15-8-6-5-7-9-15/h5-9,13H,4,10-12H2,1-3H3,(H,18,19,20)
InChIKeyUTYWDZWUVWMJEL-UHFFFAOYSA-N
XLogP3.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80753731
4-N,5-dimethyl-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80750116
4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845865
4-N-[3-(dimethylamino)propyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845968
4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80787782
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80750096
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
2-[methyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80779907
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
5-fluoro-2-hydrazinyl-N-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80931324
4-N,5-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80831497

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine (CID 80829683) is 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(N(C)CCc2ccccc2)n1.
What is the InChIKey of 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is UTYWDZWUVWMJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-11-18-17-19-13-14(2)16(20-17)21(3)12-10-15-8-6-5-7-9-15/h5-9,13H,4,10-12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine?
4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80829683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).