N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine

C12H13IN4O — CID 66319729

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
SMILESCOc1ccc(N)cc1CNc1ncncc1I
InChIInChI=1S/C12H13IN4O/c1-18-11-3-2-9(14)4-8(11)5-16-12-10(13)6-15-7-17-12/h2-4,6-7H,5,14H2,1H3,(H,15,16,17)
InChIKeyUWRPZOBCQPWDQA-UHFFFAOYSA-N
MW356.17 g/mol
LogP2.28
Rot. Bonds4

About N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine

N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine (PubChem CID 66319729) has the molecular formula C12H13IN4O and a molecular weight of 356.17 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
PubChem CID66319729
Molecular FormulaC12H13IN4O
Molecular Weight356.17 g/mol
Exact Mass356.01
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
SMILESCOc1ccc(N)cc1CNc1ncncc1I
InChIInChI=1S/C12H13IN4O/c1-18-11-3-2-9(14)4-8(11)5-16-12-10(13)6-15-7-17-12/h2-4,6-7H,5,14H2,1H3,(H,15,16,17)
InChIKeyUWRPZOBCQPWDQA-UHFFFAOYSA-N
XLogP2.28
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332143
4-[(5-amino-2-methoxyphenyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136979416
N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
CID 61014430
N-[(3-amino-2-methylphenyl)methyl]-5-iodopyrimidin-4-amine
CID 103110845
N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65275654
5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 66343046
N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240730
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
N-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66340603
5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
CID 142222409
2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 61014190

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine (CID 66319729) is N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine is COc1ccc(N)cc1CNc1ncncc1I.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine?
The InChIKey is UWRPZOBCQPWDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4O/c1-18-11-3-2-9(14)4-8(11)5-16-12-10(13)6-15-7-17-12/h2-4,6-7H,5,14H2,1H3,(H,15,16,17).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine?
N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine has a molecular weight of 356.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66319729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).