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

C14H18N4O2 — CID 115355310

IUPACN'-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
SMILESCOc1cc(OC)nc(NCC(N)c2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-19-12-8-13(20-2)18-14(17-12)16-9-11(15)10-6-4-3-5-7-10/h3-8,11H,9,15H2,1-2H3,(H,16,17,18)
InChIKeyBBZUDZGXVUWFBA-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 115355310) 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 CID115355310
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(NCC(N)c2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-19-12-8-13(20-2)18-14(17-12)16-9-11(15)10-6-4-3-5-7-10/h3-8,11H,9,15H2,1-2H3,(H,16,17,18)
InChIKeyBBZUDZGXVUWFBA-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

N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355770
1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 63120833
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 115354984
(1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine
CID 51038074
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol
CID 112634963
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115355071
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine
CID 134709520
4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802

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 115355310) 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(NCC(N)c2ccccc2)n1.
What is the InChIKey of N'-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine?
The InChIKey is BBZUDZGXVUWFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-12-8-13(20-2)18-14(17-12)16-9-11(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 115355310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).