4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine

C17H21ClN4O — CID 19140034

IUPAC4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCc1cc(Oc2ncnc(N3CCCC(C)C3)c2N)ccc1Cl
InChIInChI=1S/C17H21ClN4O/c1-11-4-3-7-22(9-11)16-15(19)17(21-10-20-16)23-13-5-6-14(18)12(2)8-13/h5-6,8,10-11H,3-4,7,9,19H2,1-2H3
InChIKeyMGPURXQBOYONKF-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.05
Rot. Bonds3

About 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine

4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 19140034) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID19140034
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCc1cc(Oc2ncnc(N3CCCC(C)C3)c2N)ccc1Cl
InChIInChI=1S/C17H21ClN4O/c1-11-4-3-7-22(9-11)16-15(19)17(21-10-20-16)23-13-5-6-14(18)12(2)8-13/h5-6,8,10-11H,3-4,7,9,19H2,1-2H3
InChIKeyMGPURXQBOYONKF-UHFFFAOYSA-N
XLogP4.05
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3-methylphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140371
4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22540701
ethyl 4-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19153249
4-(3-methylpiperidin-1-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19139925
4-(4-chloro-3-methylphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489271
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
4-(azepan-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540689
ethyl 1-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142349
4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543614
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine (CID 19140034) is 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine is Cc1cc(Oc2ncnc(N3CCCC(C)C3)c2N)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is MGPURXQBOYONKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-4-3-7-22(9-11)16-15(19)17(21-10-20-16)23-13-5-6-14(18)12(2)8-13/h5-6,8,10-11H,3-4,7,9,19H2,1-2H3.
What are the key properties of 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine?
4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 332.84 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19140034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).