N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine

C14H17N3O — CID 2073637

IUPACN-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
SMILESCOCCCNc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C14H17N3O/c1-18-9-5-8-15-14-10-13(16-11-17-14)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,15,16,17)
InChIKeyODXSLOPMKDJHDB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.59
Rot. Bonds6

About N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine

N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine (PubChem CID 2073637) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
PubChem CID2073637
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
SMILESCOCCCNc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C14H17N3O/c1-18-9-5-8-15-14-10-13(16-11-17-14)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,15,16,17)
InChIKeyODXSLOPMKDJHDB-UHFFFAOYSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.59
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-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870
6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855261
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82453669
4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856981
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935216
N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109343247
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935189
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
CID 104663227
4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856969

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine (CID 2073637) is N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine is COCCCNc1cc(-c2ccccc2)ncn1.
What is the InChIKey of N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine?
The InChIKey is ODXSLOPMKDJHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-9-5-8-15-14-10-13(16-11-17-14)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,15,16,17).
What are the key properties of N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine?
N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 2073637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).