N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine

C17H23N3O — CID 80879887

IUPACN-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(OCCCc2ccccc2)c1C(C)C
InChIInChI=1S/C17H23N3O/c1-13(2)15-16(18-3)19-12-20-17(15)21-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,18,19,20)
InChIKeySCBGWWJKWURRSM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.65
Rot. Bonds7

About N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine

N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80879887) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80879887
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(OCCCc2ccccc2)c1C(C)C
InChIInChI=1S/C17H23N3O/c1-13(2)15-16(18-3)19-12-20-17(15)21-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,18,19,20)
InChIKeySCBGWWJKWURRSM-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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

4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine
CID 63734538
N-methyl-5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794977
6-but-3-enoxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80861071
N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine
CID 80872107
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
CID 114471166
6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80790328
[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923447
6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80875888

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine (CID 80879887) is N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(OCCCc2ccccc2)c1C(C)C.
What is the InChIKey of N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is SCBGWWJKWURRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)15-16(18-3)19-12-20-17(15)21-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,18,19,20).
What are the key properties of N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine?
N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80879887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).