2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine

C15H20N4 — CID 63760552

IUPAC2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine
SMILESCc1cc(NC(CN)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C15H20N4/c1-11-8-15(18-12(2)17-11)19-14(10-16)9-13-6-4-3-5-7-13/h3-8,14H,9-10,16H2,1-2H3,(H,17,18,19)
InChIKeyQCOXZVHTCVGENV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.08
Rot. Bonds5

About 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine

2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine (PubChem CID 63760552) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine
PubChem CID63760552
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine
SMILESCc1cc(NC(CN)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C15H20N4/c1-11-8-15(18-12(2)17-11)19-14(10-16)9-13-6-4-3-5-7-13/h3-8,14H,9-10,16H2,1-2H3,(H,17,18,19)
InChIKeyQCOXZVHTCVGENV-UHFFFAOYSA-N
XLogP2.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine (CID 63760552) is 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine is Cc1cc(NC(CN)Cc2ccccc2)nc(C)n1.
What is the InChIKey of 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
The InChIKey is QCOXZVHTCVGENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-8-15(18-12(2)17-11)19-14(10-16)9-13-6-4-3-5-7-13/h3-8,14H,9-10,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 63760552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).