2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

C16H20N4O — CID 80957134

IUPAC2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(OC)cc2)nc(C2CC2)n1
InChIInChI=1S/C16H20N4O/c1-3-17-14-10-15(20-16(19-14)11-4-5-11)18-12-6-8-13(21-2)9-7-12/h6-11H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyGWZSDZARBOAPJS-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.54
Rot. Bonds6

About 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 80957134) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID80957134
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(OC)cc2)nc(C2CC2)n1
InChIInChI=1S/C16H20N4O/c1-3-17-14-10-15(20-16(19-14)11-4-5-11)18-12-6-8-13(21-2)9-7-12/h6-11H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyGWZSDZARBOAPJS-UHFFFAOYSA-N
XLogP3.54
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
2-cyclopropyl-6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine
CID 80958676
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173604
2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (CID 80957134) is 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(OC)cc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is GWZSDZARBOAPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-17-14-10-15(20-16(19-14)11-4-5-11)18-12-6-8-13(21-2)9-7-12/h6-11H,3-5H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 284.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80957134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).