6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine

C15H18ClN3O — CID 63735094

IUPAC6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccccc1OCC
InChIInChI=1S/C15H18ClN3O/c1-3-7-11-14(16)17-10-18-15(11)19-12-8-5-6-9-13(12)20-4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyKLRZUGBKSFGZOQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.22
Rot. Bonds6

About 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine

6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine (PubChem CID 63735094) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
PubChem CID63735094
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccccc1OCC
InChIInChI=1S/C15H18ClN3O/c1-3-7-11-14(16)17-10-18-15(11)19-12-8-5-6-9-13(12)20-4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyKLRZUGBKSFGZOQ-UHFFFAOYSA-N
XLogP4.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
CID 102907328
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine
CID 63734206
6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 63734216
4-N-(2-chloro-3-pyridinyl)-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22539023
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
CID 104727823

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine (CID 63735094) is 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccccc1OCC.
What is the InChIKey of 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine?
The InChIKey is KLRZUGBKSFGZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-7-11-14(16)17-10-18-15(11)19-12-8-5-6-9-13(12)20-4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63735094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).