6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine

C14H16ClN3O — CID 80966235

IUPAC6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Oc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C14H16ClN3O/c1-8(2)14-17-12(16)7-13(18-14)19-11-5-4-10(15)6-9(11)3/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyNNHVCCVUCXLOTE-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.94
Rot. Bonds3

About 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine

6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80966235) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80966235
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Oc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C14H16ClN3O/c1-8(2)14-17-12(16)7-13(18-14)19-11-5-4-10(15)6-9(11)3/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyNNHVCCVUCXLOTE-UHFFFAOYSA-N
XLogP3.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966556
6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963670
5-(4-chloro-2-methylphenoxy)pyrazin-2-amine
CID 80663336
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 80966111
6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80963380
2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 63181183
4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
CID 80949225
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907
3-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
CID 107672854

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine (CID 80966235) is 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine is Cc1cc(Cl)ccc1Oc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is NNHVCCVUCXLOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8(2)14-17-12(16)7-13(18-14)19-11-5-4-10(15)6-9(11)3/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine?
6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80966235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).