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

C15H20N4 — CID 116974601

IUPAC2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
SMILESCC(C)(CN)CNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C15H20N4/c1-15(2,10-16)11-19-14-17-8-13(9-18-14)12-6-4-3-5-7-12/h3-9H,10-11,16H2,1-2H3,(H,17,18,19)
InChIKeyMPADTYBZNMQRES-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.54
Rot. Bonds5

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

2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 116974601) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
PubChem CID116974601
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
SMILESCC(C)(CN)CNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C15H20N4/c1-15(2,10-16)11-19-14-17-8-13(9-18-14)12-6-4-3-5-7-12/h3-9H,10-11,16H2,1-2H3,(H,17,18,19)
InChIKeyMPADTYBZNMQRES-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine (CID 116974601) is 2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine is CC(C)(CN)CNc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is MPADTYBZNMQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2,10-16)11-19-14-17-8-13(9-18-14)12-6-4-3-5-7-12/h3-9H,10-11,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116974601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).