N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine

C16H21N3O2 — CID 66330376

IUPACN-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1cccc(OCCNc2cc(OC(C)C)ncn2)c1
InChIInChI=1S/C16H21N3O2/c1-12(2)21-16-10-15(18-11-19-16)17-7-8-20-14-6-4-5-13(3)9-14/h4-6,9-12H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyCREHICTZNKNNEG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.06
Rot. Bonds7

About N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine

N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66330376) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66330376
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1cccc(OCCNc2cc(OC(C)C)ncn2)c1
InChIInChI=1S/C16H21N3O2/c1-12(2)21-16-10-15(18-11-19-16)17-7-8-20-14-6-4-5-13(3)9-14/h4-6,9-12H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyCREHICTZNKNNEG-UHFFFAOYSA-N
XLogP3.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
CID 62482638
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66325709
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 63455557

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine (CID 66330376) is N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine is Cc1cccc(OCCNc2cc(OC(C)C)ncn2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is CREHICTZNKNNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)21-16-10-15(18-11-19-16)17-7-8-20-14-6-4-5-13(3)9-14/h4-6,9-12H,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66330376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).