N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine

C16H21N3O — CID 80654917

IUPACN,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-11(2)13-5-7-14(8-6-13)20-10-16-18-12(3)9-15(17-4)19-16/h5-9,11H,10H2,1-4H3,(H,17,18,19)
InChIKeyWWTGPBVCGVXTLC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.53
Rot. Bonds5

About N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine

N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine (PubChem CID 80654917) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
PubChem CID80654917
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-11(2)13-5-7-14(8-6-13)20-10-16-18-12(3)9-15(17-4)19-16/h5-9,11H,10H2,1-4H3,(H,17,18,19)
InChIKeyWWTGPBVCGVXTLC-UHFFFAOYSA-N
XLogP3.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80664311
2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80653912
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663360
2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663952
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
[6-methyl-2-[(4-propylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656739
2-[(3-chloro-2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116689908
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
3,5-dimethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methoxy]benzonitrile
CID 80664092
N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine
CID 103285313

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine (CID 80654917) is N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine is CNc1cc(C)nc(COc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
The InChIKey is WWTGPBVCGVXTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)13-5-7-14(8-6-13)20-10-16-18-12(3)9-15(17-4)19-16/h5-9,11H,10H2,1-4H3,(H,17,18,19).
What are the key properties of N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80654917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).