4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

C16H23N5 — CID 80783031

IUPAC4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC(C)c2ccccc2C)nc(N)n1
InChIInChI=1S/C16H23N5/c1-4-9-18-14-10-15(21-16(17)20-14)19-12(3)13-8-6-5-7-11(13)2/h5-8,10,12H,4,9H2,1-3H3,(H4,17,18,19,20,21)
InChIKeyQFPZRXIHMSYAHD-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.36
Rot. Bonds6

About 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80783031) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80783031
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC(C)c2ccccc2C)nc(N)n1
InChIInChI=1S/C16H23N5/c1-4-9-18-14-10-15(21-16(17)20-14)19-12(3)13-8-6-5-7-11(13)2/h5-8,10,12H,4,9H2,1-3H3,(H4,17,18,19,20,21)
InChIKeyQFPZRXIHMSYAHD-UHFFFAOYSA-N
XLogP3.36
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80846411
6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80839673
6-chloro-2-N-[1-(2-methylphenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783674
6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80874035
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80960560
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (CID 80783031) is 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NC(C)c2ccccc2C)nc(N)n1.
What is the InChIKey of 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is QFPZRXIHMSYAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-9-18-14-10-15(21-16(17)20-14)19-12(3)13-8-6-5-7-11(13)2/h5-8,10,12H,4,9H2,1-3H3,(H4,17,18,19,20,21).
What are the key properties of 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 285.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80783031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).