5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine

C11H11IN4O — CID 66343046

IUPAC5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncncc2I)ccn1
InChIInChI=1S/C11H11IN4O/c1-17-10-4-8(2-3-14-10)5-15-11-9(12)6-13-7-16-11/h2-4,6-7H,5H2,1H3,(H,13,15,16)
InChIKeyQDERWNSYUXIDHC-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.10
Rot. Bonds4

About 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine

5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 66343046) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID66343046
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncncc2I)ccn1
InChIInChI=1S/C11H11IN4O/c1-17-10-4-8(2-3-14-10)5-15-11-9(12)6-13-7-16-11/h2-4,6-7H,5H2,1H3,(H,13,15,16)
InChIKeyQDERWNSYUXIDHC-UHFFFAOYSA-N
XLogP2.10
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809447
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 66100905
3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534447
3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 102751039
N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
CID 66319729
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 17483718
5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66341707

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine (CID 66343046) is 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine is COc1cc(CNc2ncncc2I)ccn1.
What is the InChIKey of 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is QDERWNSYUXIDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-17-10-4-8(2-3-14-10)5-15-11-9(12)6-13-7-16-11/h2-4,6-7H,5H2,1H3,(H,13,15,16).
What are the key properties of 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine?
5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 342.14 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66343046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).