4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine

C19H26N4O — CID 112899905

IUPAC4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nccc(NC2CCCCCC2)n1
InChIInChI=1S/C19H26N4O/c1-2-24-17-12-8-7-11-16(17)22-19-20-14-13-18(23-19)21-15-9-5-3-4-6-10-15/h7-8,11-15H,2-6,9-10H2,1H3,(H2,20,21,22,23)
InChIKeyUQYKKVDMNIBHTO-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.75
Rot. Bonds6

About 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine

4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112899905) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112899905
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1nccc(NC2CCCCCC2)n1
InChIInChI=1S/C19H26N4O/c1-2-24-17-12-8-7-11-16(17)22-19-20-14-13-18(23-19)21-15-9-5-3-4-6-10-15/h7-8,11-15H,2-6,9-10H2,1H3,(H2,20,21,22,23)
InChIKeyUQYKKVDMNIBHTO-UHFFFAOYSA-N
XLogP4.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899886
2-N-(2-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886776
3-N-cyclohexyl-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942495
4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906
2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904866
2-N-(2-ethoxyphenyl)-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112902830
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
2-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904858
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112902522
4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112884209

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine (CID 112899905) is 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine is CCOc1ccccc1Nc1nccc(NC2CCCCCC2)n1.
What is the InChIKey of 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is UQYKKVDMNIBHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-24-17-12-8-7-11-16(17)22-19-20-14-13-18(23-19)21-15-9-5-3-4-6-10-15/h7-8,11-15H,2-6,9-10H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 326.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).