4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine

C12H12ClN3O — CID 63022237

IUPAC4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine
SMILESCC(Oc1ncnc(Cl)c1N)c1ccccc1
InChIInChI=1S/C12H12ClN3O/c1-8(9-5-3-2-4-6-9)17-12-10(14)11(13)15-7-16-12/h2-8H,14H2,1H3
InChIKeySKSDWNMQEYVKRA-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.85
Rot. Bonds3

About 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine

4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine (PubChem CID 63022237) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine
PubChem CID63022237
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine
SMILESCC(Oc1ncnc(Cl)c1N)c1ccccc1
InChIInChI=1S/C12H12ClN3O/c1-8(9-5-3-2-4-6-9)17-12-10(14)11(13)15-7-16-12/h2-8H,14H2,1H3
InChIKeySKSDWNMQEYVKRA-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-propan-2-yloxypyrimidin-5-amine
CID 23477591
5-bromo-6-(1-phenylethoxy)pyrimidin-4-amine
CID 114073020
4-(1-phenylethoxy)quinazolin-7-amine
CID 65336469
5-nitro-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80860205
4-chloro-6-(2-chlorophenoxy)pyrimidin-5-amine
CID 46172362
4-chloro-6-(1-phenylethoxy)pyrimidine
CID 61279152
4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine
CID 60726811
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319
3-(1-phenylethoxy)pyrazine-2-carbothioamide
CID 62683961
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
5-amino-2-(1-phenylethoxy)pyridine-3-carboxamide
CID 61357633

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine (CID 63022237) is 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine is CC(Oc1ncnc(Cl)c1N)c1ccccc1.
What is the InChIKey of 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine?
The InChIKey is SKSDWNMQEYVKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8(9-5-3-2-4-6-9)17-12-10(14)11(13)15-7-16-12/h2-8H,14H2,1H3.
What are the key properties of 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine?
4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine has a molecular weight of 249.70 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine is sourced from PubChem (CID 63022237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).