2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C17H23N3O — CID 62716221

IUPAC2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(COc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-4-10-18-16-11-15(13(2)3)19-17(20-16)12-21-14-8-6-5-7-9-14/h5-9,11,13H,4,10,12H2,1-3H3,(H,18,19,20)
InChIKeyMYUFSOALLGLKGG-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.00
Rot. Bonds7

About 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 62716221) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID62716221
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(COc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-4-10-18-16-11-15(13(2)3)19-17(20-16)12-21-14-8-6-5-7-9-14/h5-9,11,13H,4,10,12H2,1-3H3,(H,18,19,20)
InChIKeyMYUFSOALLGLKGG-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid
CID 82169959
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 62717068
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150314
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
6-(methoxymethyl)-N-methyl-2-(phenoxymethyl)pyrimidin-4-amine
CID 62716726
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 62716221) is 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(COc2ccccc2)n1.
What is the InChIKey of 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is MYUFSOALLGLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-10-18-16-11-15(13(2)3)19-17(20-16)12-21-14-8-6-5-7-9-14/h5-9,11,13H,4,10,12H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62716221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).