4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine

C16H21N3O2 — CID 115974641

IUPAC4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine
SMILESCCOc1ccnc(NC(C)COc2ccc(C)cc2)n1
InChIInChI=1S/C16H21N3O2/c1-4-20-15-9-10-17-16(19-15)18-13(3)11-21-14-7-5-12(2)6-8-14/h5-10,13H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyXHDHAUWMRWPQOE-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.06
Rot. Bonds7

About 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine

4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine (PubChem CID 115974641) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine
PubChem CID115974641
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine
SMILESCCOc1ccnc(NC(C)COc2ccc(C)cc2)n1
InChIInChI=1S/C16H21N3O2/c1-4-20-15-9-10-17-16(19-15)18-13(3)11-21-14-7-5-12(2)6-8-14/h5-10,13H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyXHDHAUWMRWPQOE-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

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Related Compounds

N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile
CID 107551984
N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112638879
4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine
CID 103359367
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
CID 112637466
N-[1-(4-methylphenoxy)propan-2-yl]-1,3-thiazol-2-amine
CID 61166762
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine (CID 115974641) is 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine is CCOc1ccnc(NC(C)COc2ccc(C)cc2)n1.
What is the InChIKey of 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine?
The InChIKey is XHDHAUWMRWPQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-20-15-9-10-17-16(19-15)18-13(3)11-21-14-7-5-12(2)6-8-14/h5-10,13H,4,11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine?
4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-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 4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 115974641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).