6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine

C16H20ClN3O — CID 102907328

IUPAC6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccccc1CCOC
InChIInChI=1S/C16H20ClN3O/c1-3-6-13-15(17)18-11-19-16(13)20-14-8-5-4-7-12(14)9-10-21-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyOVQCEDSLOLPOQA-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.01
Rot. Bonds7

About 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine

6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine (PubChem CID 102907328) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
PubChem CID102907328
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccccc1CCOC
InChIInChI=1S/C16H20ClN3O/c1-3-6-13-15(17)18-11-19-16(13)20-14-8-5-4-7-12(14)9-10-21-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyOVQCEDSLOLPOQA-UHFFFAOYSA-N
XLogP4.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine
CID 55143311
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-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908789
6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 63734216
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 63023250
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
CID 63729687

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine (CID 102907328) is 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccccc1CCOC.
What is the InChIKey of 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine?
The InChIKey is OVQCEDSLOLPOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-6-13-15(17)18-11-19-16(13)20-14-8-5-4-7-12(14)9-10-21-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine?
6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 102907328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).