1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine

C15H20N4O — CID 66334028

IUPAC1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCOc1cc(NC(CN)c2ccccc2)ncn1
InChIInChI=1S/C15H20N4O/c1-2-8-20-15-9-14(17-11-18-15)19-13(10-16)12-6-4-3-5-7-12/h3-7,9,11,13H,2,8,10,16H2,1H3,(H,17,18,19)
InChIKeyCKPPLUGLYZKYHW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.38
Rot. Bonds7

About 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine

1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 66334028) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
PubChem CID66334028
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCOc1cc(NC(CN)c2ccccc2)ncn1
InChIInChI=1S/C15H20N4O/c1-2-8-20-15-9-14(17-11-18-15)19-13(10-16)12-6-4-3-5-7-12/h3-7,9,11,13H,2,8,10,16H2,1H3,(H,17,18,19)
InChIKeyCKPPLUGLYZKYHW-UHFFFAOYSA-N
XLogP2.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207
N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328797
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 66328037
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
2-[(6-propoxypyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284507
1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
CID 66328407
1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol
CID 66333616
6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66330165

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine (CID 66334028) is 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine is CCCOc1cc(NC(CN)c2ccccc2)ncn1.
What is the InChIKey of 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is CKPPLUGLYZKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-8-20-15-9-14(17-11-18-15)19-13(10-16)12-6-4-3-5-7-12/h3-7,9,11,13H,2,8,10,16H2,1H3,(H,17,18,19).
What are the key properties of 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine?
1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66334028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).