N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine

C14H18N4O2 — CID 66332143

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ccc(N)cc1CNc1ncnc(OC)c1C
InChIInChI=1S/C14H18N4O2/c1-9-13(17-8-18-14(9)20-3)16-7-10-6-11(15)4-5-12(10)19-2/h4-6,8H,7,15H2,1-3H3,(H,16,17,18)
InChIKeyRKXFCBHPOPSIOH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.00
Rot. Bonds5

About N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine

N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 66332143) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID66332143
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ccc(N)cc1CNc1ncnc(OC)c1C
InChIInChI=1S/C14H18N4O2/c1-9-13(17-8-18-14(9)20-3)16-7-10-6-11(15)4-5-12(10)19-2/h4-6,8H,7,15H2,1-3H3,(H,16,17,18)
InChIKeyRKXFCBHPOPSIOH-UHFFFAOYSA-N
XLogP2.00
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332146
N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
CID 66319729
N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66325616
N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327604
N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65275654
N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240730
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66327251
N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
CID 61014430
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
4-[(5-amino-2-methoxyphenyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136979416
N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
CID 142222409

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (CID 66332143) is N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is COc1ccc(N)cc1CNc1ncnc(OC)c1C.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is RKXFCBHPOPSIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-13(17-8-18-14(9)20-3)16-7-10-6-11(15)4-5-12(10)19-2/h4-6,8H,7,15H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 274.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66332143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).