2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine

C16H21N3O — CID 95474422

IUPAC2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Cc2nc(C)cc(N)n2)cc1C(C)C
InChIInChI=1S/C16H21N3O/c1-10(2)13-8-12(5-6-14(13)20-4)9-16-18-11(3)7-15(17)19-16/h5-8,10H,9H2,1-4H3,(H2,17,18,19)
InChIKeyHZGOVSQEHONVME-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.09
Rot. Bonds4

About 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine

2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 95474422) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine
PubChem CID95474422
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Cc2nc(C)cc(N)n2)cc1C(C)C
InChIInChI=1S/C16H21N3O/c1-10(2)13-8-12(5-6-14(13)20-4)9-16-18-11(3)7-15(17)19-16/h5-8,10H,9H2,1-4H3,(H2,17,18,19)
InChIKeyHZGOVSQEHONVME-UHFFFAOYSA-N
XLogP3.09
TPSA61.03 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62904201
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 628127
2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine
CID 62192255
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
4-(isocyanatomethyl)-1-methoxy-2-propan-2-ylbenzene
CID 82283009

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine (CID 95474422) is 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine is COc1ccc(Cc2nc(C)cc(N)n2)cc1C(C)C.
What is the InChIKey of 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is HZGOVSQEHONVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)13-8-12(5-6-14(13)20-4)9-16-18-11(3)7-15(17)19-16/h5-8,10H,9H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine?
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 95474422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).