2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine

C14H18N4 — CID 116974512

IUPAC2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
SMILESCC(CN)CNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C14H18N4/c1-11(7-15)8-16-14-17-9-13(10-18-14)12-5-3-2-4-6-12/h2-6,9-11H,7-8,15H2,1H3,(H,16,17,18)
InChIKeyBAWIHURBMCCBGH-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.15
Rot. Bonds5

About 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine

2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 116974512) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
PubChem CID116974512
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
SMILESCC(CN)CNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C14H18N4/c1-11(7-15)8-16-14-17-9-13(10-18-14)12-5-3-2-4-6-12/h2-6,9-11H,7-8,15H2,1H3,(H,16,17,18)
InChIKeyBAWIHURBMCCBGH-UHFFFAOYSA-N
XLogP2.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine (CID 116974512) is 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine is CC(CN)CNc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is BAWIHURBMCCBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11(7-15)8-16-14-17-9-13(10-18-14)12-5-3-2-4-6-12/h2-6,9-11H,7-8,15H2,1H3,(H,16,17,18).
What are the key properties of 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116974512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).