N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine

C16H21N3O2 — CID 91646378

IUPACN-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine
SMILESCOc1ccc(COCCCNc2ncc(C)cn2)cc1
InChIInChI=1S/C16H21N3O2/c1-13-10-18-16(19-11-13)17-8-3-9-21-12-14-4-6-15(20-2)7-5-14/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,17,18,19)
InChIKeyBYRVWNJBTYEYIR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.81
Rot. Bonds8

About N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine

N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine (PubChem CID 91646378) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine
PubChem CID91646378
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine
SMILESCOc1ccc(COCCCNc2ncc(C)cn2)cc1
InChIInChI=1S/C16H21N3O2/c1-13-10-18-16(19-11-13)17-8-3-9-21-12-14-4-6-15(20-2)7-5-14/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,17,18,19)
InChIKeyBYRVWNJBTYEYIR-UHFFFAOYSA-N
XLogP2.81
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.81
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-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine
CID 62456313
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
CID 133444709
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
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CID 109256110
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212
N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
1-iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799167
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine (CID 91646378) is N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine is COc1ccc(COCCCNc2ncc(C)cn2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine?
The InChIKey is BYRVWNJBTYEYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-10-18-16(19-11-13)17-8-3-9-21-12-14-4-6-15(20-2)7-5-14/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,17,18,19).
What are the key properties of N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine?
N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine has a molecular weight of 287.36 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 91646378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).