5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine

C13H15IN4O — CID 66342116

IUPAC5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCC(C)Oc1ncccc1CNc1ncncc1I
InChIInChI=1S/C13H15IN4O/c1-9(2)19-13-10(4-3-5-16-13)6-17-12-11(14)7-15-8-18-12/h3-5,7-9H,6H2,1-2H3,(H,15,17,18)
InChIKeyMBDKOUBIJAHCGY-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.88
Rot. Bonds5

About 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine

5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 66342116) has the molecular formula C13H15IN4O and a molecular weight of 370.19 g/mol. Its IUPAC name is 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID66342116
Molecular FormulaC13H15IN4O
Molecular Weight370.19 g/mol
Exact Mass370.03
IUPAC Name5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCC(C)Oc1ncccc1CNc1ncncc1I
InChIInChI=1S/C13H15IN4O/c1-9(2)19-13-10(4-3-5-16-13)6-17-12-11(14)7-15-8-18-12/h3-5,7-9H,6H2,1-2H3,(H,15,17,18)
InChIKeyMBDKOUBIJAHCGY-UHFFFAOYSA-N
XLogP2.88
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.88
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-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 105369277
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66101267
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine
CID 61373121
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
N-[(3-amino-2-methylphenyl)methyl]-5-iodopyrimidin-4-amine
CID 103110845
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839394
5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136974722
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
4-chloro-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
CID 115468707

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine (CID 66342116) is 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine is CC(C)Oc1ncccc1CNc1ncncc1I.
What is the InChIKey of 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is MBDKOUBIJAHCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O/c1-9(2)19-13-10(4-3-5-16-13)6-17-12-11(14)7-15-8-18-12/h3-5,7-9H,6H2,1-2H3,(H,15,17,18).
What are the key properties of 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine?
5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 370.19 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66342116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).