2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine

C16H20ClN3O — CID 80988122

IUPAC2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1OCc1ccccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-10-13(18)19-15(16(2,3)4)20-14(10)21-9-11-7-5-6-8-12(11)17/h5-8H,9H2,1-4H3,(H2,18,19,20)
InChIKeyQNPUFCLQHWRBHT-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.90
Rot. Bonds3

About 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine

2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine (PubChem CID 80988122) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine
PubChem CID80988122
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1OCc1ccccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-10-13(18)19-15(16(2,3)4)20-14(10)21-9-11-7-5-6-8-12(11)17/h5-8H,9H2,1-4H3,(H2,18,19,20)
InChIKeyQNPUFCLQHWRBHT-UHFFFAOYSA-N
XLogP3.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80989840
2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine
CID 80988187
3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80989324
2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80989402
2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
CID 80988672
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine
CID 114216987
2-[(2-chlorophenyl)methoxy]-6-methoxypyridin-3-amine
CID 113286658
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
CID 80859211
2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80989349
2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 103176459

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine (CID 80988122) is 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1OCc1ccccc1Cl.
What is the InChIKey of 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine?
The InChIKey is QNPUFCLQHWRBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10-13(18)19-15(16(2,3)4)20-14(10)21-9-11-7-5-6-8-12(11)17/h5-8H,9H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine?
2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80988122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).