6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine

C16H21N3O — CID 126471056

IUPAC6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine
SMILESCNc1cc(OCc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C16H21N3O/c1-16(2,3)13-7-5-12(6-8-13)10-20-15-9-14(17-4)18-11-19-15/h5-9,11H,10H2,1-4H3,(H,17,18,19)
InChIKeyUWPUIRRCSKFUSJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.39
Rot. Bonds4

About 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine

6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine (PubChem CID 126471056) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine
PubChem CID126471056
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine
SMILESCNc1cc(OCc2ccc(C(C)(C)C)cc2)ncn1
InChIInChI=1S/C16H21N3O/c1-16(2,3)13-7-5-12(6-8-13)10-20-15-9-14(17-4)18-11-19-15/h5-9,11H,10H2,1-4H3,(H,17,18,19)
InChIKeyUWPUIRRCSKFUSJ-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
6-(Benzyloxy)pyrimidine-2,4-diamine
CID 10130617
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864262
4-[2-(4-Fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 164673350
6-[2-(4-fluorophenyl)ethoxy]-N,N-dimethylpyrimidin-4-amine
CID 166628299
1-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]azepane
CID 166628525
4-[2-(4-Fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine
CID 166629336
2,4-Bis(benzyloxy)pyrimidine
CID 10447380
4,6-Bis(benzyloxy)pyrimidine
CID 42553068
4-(Benzyloxy)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46228092
6-(Benzyloxy)pyrimidin-4-amine
CID 309338

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine (CID 126471056) is 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine is CNc1cc(OCc2ccc(C(C)(C)C)cc2)ncn1.
What is the InChIKey of 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine?
The InChIKey is UWPUIRRCSKFUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)13-7-5-12(6-8-13)10-20-15-9-14(17-4)18-11-19-15/h5-9,11H,10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine?
6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 126471056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).