2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine

C17H24N4 — CID 80798243

IUPAC2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(CC)c2ccccc2)nc(C)n1
InChIInChI=1S/C17H24N4/c1-4-11-18-16-12-17(20-13(3)19-16)21-15(5-2)14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyDOJCRIYYPLYTJD-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.17
Rot. Bonds7

About 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine

2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80798243) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80798243
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(CC)c2ccccc2)nc(C)n1
InChIInChI=1S/C17H24N4/c1-4-11-18-16-12-17(20-13(3)19-16)21-15(5-2)14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyDOJCRIYYPLYTJD-UHFFFAOYSA-N
XLogP4.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine (CID 80798243) is 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(CC)c2ccccc2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DOJCRIYYPLYTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-11-18-16-12-17(20-13(3)19-16)21-15(5-2)14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80798243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).