4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine

C14H16ClN3O — CID 3572121

IUPAC4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(C(C)C)cc1Oc1cc(Cl)nc(N)n1
InChIInChI=1S/C14H16ClN3O/c1-8(2)10-5-4-9(3)11(6-10)19-13-7-12(15)17-14(16)18-13/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyHKCCDKSAIMINRX-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.94
Rot. Bonds3

About 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine

4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine (PubChem CID 3572121) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
PubChem CID3572121
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(C(C)C)cc1Oc1cc(Cl)nc(N)n1
InChIInChI=1S/C14H16ClN3O/c1-8(2)10-5-4-9(3)11(6-10)19-13-7-12(15)17-14(16)18-13/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyHKCCDKSAIMINRX-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 ≤ 500277.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine (CID 3572121) is 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine is Cc1ccc(C(C)C)cc1Oc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
The InChIKey is HKCCDKSAIMINRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8(2)10-5-4-9(3)11(6-10)19-13-7-12(15)17-14(16)18-13/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine?
4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine has a molecular weight of 277.76 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 4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 3572121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).