N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine

C14H18N4O2 — CID 115355770

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
SMILESCOc1cc(OC)nc(NC(CN)c2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-19-12-8-13(20-2)18-14(17-12)16-11(9-15)10-6-4-3-5-7-10/h3-8,11H,9,15H2,1-2H3,(H,16,17,18)
InChIKeyZYSRDFVSMXZXPH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.61
Rot. Bonds6

About N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine

N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine (PubChem CID 115355770) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
PubChem CID115355770
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
SMILESCOc1cc(OC)nc(NC(CN)c2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-19-12-8-13(20-2)18-14(17-12)16-11(9-15)10-6-4-3-5-7-10/h3-8,11H,9,15H2,1-2H3,(H,16,17,18)
InChIKeyZYSRDFVSMXZXPH-UHFFFAOYSA-N
XLogP1.61
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
N'-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355310
4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116
N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 113371369
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine
CID 134709520
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-phenylpropanoic acid
CID 122049525
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3,3-bis(3-methoxyphenyl)propanoic acid
CID 15338475
N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63761958
N-(4,6-dimethoxypyrimidin-2-yl)-2-phenylpropanamide
CID 71620621
N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine
CID 63760548

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine (CID 115355770) is N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine is COc1cc(OC)nc(NC(CN)c2ccccc2)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine?
The InChIKey is ZYSRDFVSMXZXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-12-8-13(20-2)18-14(17-12)16-11(9-15)10-6-4-3-5-7-10/h3-8,11H,9,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine?
N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine has a molecular weight of 274.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 115355770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).