5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine

C14H18N4 — CID 113430292

IUPAC5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCC(C)c1ccccc1
InChIInChI=1S/C14H18N4/c1-10(12-6-4-3-5-7-12)8-16-14-11(2)13(15)17-9-18-14/h3-7,9-10H,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyMXBDHZWGIRYESC-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.58
Rot. Bonds4

About 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine

5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 113430292) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID113430292
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCC(C)c1ccccc1
InChIInChI=1S/C14H18N4/c1-10(12-6-4-3-5-7-12)8-16-14-11(2)13(15)17-9-18-14/h3-7,9-10H,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyMXBDHZWGIRYESC-UHFFFAOYSA-N
XLogP2.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319
4-N-(2-phenylpropyl)quinazoline-4,7-diamine
CID 104591254
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592555
N-(2-phenylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 104591722
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80830817
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065
N-(2-phenylpropyl)-1H-imidazol-2-amine
CID 106581004
6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591315

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine (CID 113430292) is 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine is Cc1c(N)ncnc1NCC(C)c1ccccc1.
What is the InChIKey of 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is MXBDHZWGIRYESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(12-6-4-3-5-7-12)8-16-14-11(2)13(15)17-9-18-14/h3-7,9-10H,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine?
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113430292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).