4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine

C17H22ClN3O — CID 1214837

IUPAC4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine
SMILESCCc1nc(N)nc(Cl)c1Oc1cccc(C(CC)CC)c1
InChIInChI=1S/C17H22ClN3O/c1-4-11(5-2)12-8-7-9-13(10-12)22-15-14(6-3)20-17(19)21-16(15)18/h7-11H,4-6H2,1-3H3,(H2,19,20,21)
InChIKeyOYWYZGHSESAPPB-UHFFFAOYSA-N
MW319.84 g/mol
LogP4.97
Rot. Bonds6

About 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine

4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine (PubChem CID 1214837) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine
PubChem CID1214837
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine
SMILESCCc1nc(N)nc(Cl)c1Oc1cccc(C(CC)CC)c1
InChIInChI=1S/C17H22ClN3O/c1-4-11(5-2)12-8-7-9-13(10-12)22-15-14(6-3)20-17(19)21-16(15)18/h7-11H,4-6H2,1-3H3,(H2,19,20,21)
InChIKeyOYWYZGHSESAPPB-UHFFFAOYSA-N
XLogP4.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine
CID 134120551
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
3-(3-bromophenoxy)-5-chloro-6-ethylpyrazine-2-carboxamide
CID 121285455
2-amino-6-fluoro-N-[[4-(3-pentan-3-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843737
4-ethylquinazolin-2-amine
CID 10352174
5-(3-chlorophenyl)nonane-3,7-diamine
CID 170889684
(3S)-3-(3-methoxyphenyl)pentanal
CID 118647969
1-chloro-3-(2-phenylbutoxy)benzene
CID 70672799
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
(3-pentan-3-ylphenyl)methanesulfonyl chloride
CID 84710323
2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80989458
2-(3-phenoxyphenyl)butanoic acid
CID 69314878

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine (CID 1214837) is 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine is CCc1nc(N)nc(Cl)c1Oc1cccc(C(CC)CC)c1.
What is the InChIKey of 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine?
The InChIKey is OYWYZGHSESAPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-4-11(5-2)12-8-7-9-13(10-12)22-15-14(6-3)20-17(19)21-16(15)18/h7-11H,4-6H2,1-3H3,(H2,19,20,21).
What are the key properties of 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine?
4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine has a molecular weight of 319.84 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 1214837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).