2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine

C14H18N4O2 — CID 61146119

IUPAC2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine
SMILESCCOc1ccc(OCC)c(Nc2ncc(N)cn2)c1
InChIInChI=1S/C14H18N4O2/c1-3-19-11-5-6-13(20-4-2)12(7-11)18-14-16-8-10(15)9-17-14/h5-9H,3-4,15H2,1-2H3,(H,16,17,18)
InChIKeyZRVMWQIKDCJIPE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.60
Rot. Bonds6

About 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine

2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine (PubChem CID 61146119) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine
PubChem CID61146119
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine
SMILESCCOc1ccc(OCC)c(Nc2ncc(N)cn2)c1
InChIInChI=1S/C14H18N4O2/c1-3-19-11-5-6-13(20-4-2)12(7-11)18-14-16-8-10(15)9-17-14/h5-9H,3-4,15H2,1-2H3,(H,16,17,18)
InChIKeyZRVMWQIKDCJIPE-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine
CID 116796223
(2,5-diethoxyphenyl)hydrazine
CID 119006370
2-N-(2,5-diethoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436471
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436266
N-(2,5-diethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439757
N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550265
5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64631499
2,5-diethoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657607
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115928387
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800
N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine (CID 61146119) is 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine is CCOc1ccc(OCC)c(Nc2ncc(N)cn2)c1.
What is the InChIKey of 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine?
The InChIKey is ZRVMWQIKDCJIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-19-11-5-6-13(20-4-2)12(7-11)18-14-16-8-10(15)9-17-14/h5-9H,3-4,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine?
2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 61146119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).