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

C19H26N4O — CID 112899906

IUPAC4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nccc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H26N4O/c1-2-24-17-11-9-16(10-12-17)22-19-20-14-13-18(23-19)21-15-7-5-3-4-6-8-15/h9-15H,2-8H2,1H3,(H2,20,21,22,23)
InChIKeyGDQJYFRLZUJCBY-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.75
Rot. Bonds6

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

4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112899906) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112899906
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nccc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H26N4O/c1-2-24-17-11-9-16(10-12-17)22-19-20-14-13-18(23-19)21-15-7-5-3-4-6-8-15/h9-15H,2-8H2,1H3,(H2,20,21,22,23)
InChIKeyGDQJYFRLZUJCBY-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-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
ethyl 4-[[4-(cyclopentylamino)pyrimidin-2-yl]amino]benzoate
CID 112884279
2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886777
4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899905
methyl 4-[[4-(cyclopentylamino)pyrimidin-2-yl]amino]benzoate
CID 112884257
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
4-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886926
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886110
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
4-N-cyclopropyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882308
4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112899930

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine (CID 112899906) is 4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine is CCOc1ccc(Nc2nccc(NC3CCCCCC3)n2)cc1.
What is the InChIKey of 4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is GDQJYFRLZUJCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-24-17-11-9-16(10-12-17)22-19-20-14-13-18(23-19)21-15-7-5-3-4-6-8-15/h9-15H,2-8H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
4-N-cycloheptyl-2-N-(4-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-(4-ethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).