4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine

C16H22N4O — CID 102908789

IUPAC4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCOCCc1ccccc1Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C16H22N4O/c1-11(2)14-15(17)18-10-19-16(14)20-13-7-5-4-6-12(13)8-9-21-3/h4-7,10-11H,8-9H2,1-3H3,(H3,17,18,19,20)
InChIKeyRURBCQIZXGGKJW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.11
Rot. Bonds6

About 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 102908789) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID102908789
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCOCCc1ccccc1Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C16H22N4O/c1-11(2)14-15(17)18-10-19-16(14)20-13-7-5-4-6-12(13)8-9-21-3/h4-7,10-11H,8-9H2,1-3H3,(H3,17,18,19,20)
InChIKeyRURBCQIZXGGKJW-UHFFFAOYSA-N
XLogP3.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,5-diamine
CID 102903424
2-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3-diamine
CID 102903407
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754772
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
6-hydrazinyl-5-propan-2-yl-N-(2-propylphenyl)pyrimidin-4-amine
CID 80901927
4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80783013
4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80762317
6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
CID 102907328
6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine
CID 102903466
6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735623
4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80785118
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 102908789) is 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine is COCCc1ccccc1Nc1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RURBCQIZXGGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)14-15(17)18-10-19-16(14)20-13-7-5-4-6-12(13)8-9-21-3/h4-7,10-11H,8-9H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 102908789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).