4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine

C16H21N3O — CID 133309879

IUPAC4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCOc2ccccc2C(C)C)n1
InChIInChI=1S/C16H21N3O/c1-12(2)14-6-4-5-7-15(14)20-11-10-18-16-17-9-8-13(3)19-16/h4-9,12H,10-11H2,1-3H3,(H,17,18,19)
InChIKeyNPVKZSUSKSOPOK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.40
Rot. Bonds6

About 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine

4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine (PubChem CID 133309879) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine
PubChem CID133309879
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCOc2ccccc2C(C)C)n1
InChIInChI=1S/C16H21N3O/c1-12(2)14-6-4-5-7-15(14)20-11-10-18-16-17-9-8-13(3)19-16/h4-9,12H,10-11H2,1-3H3,(H,17,18,19)
InChIKeyNPVKZSUSKSOPOK-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine
CID 133304713
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
2-methyl-6-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 79260812
4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine (CID 133309879) is 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine is Cc1ccnc(NCCOc2ccccc2C(C)C)n1.
What is the InChIKey of 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine?
The InChIKey is NPVKZSUSKSOPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)14-6-4-5-7-15(14)20-11-10-18-16-17-9-8-13(3)19-16/h4-9,12H,10-11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine?
4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 133309879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).