5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

C13H16IN5O2 — CID 130435891

IUPAC5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
InChIInChI=1S/C13H16IN5O2/c1-6(2)10-8(4-7(14)12(18-10)20-3)21-9-5-17-13(16)19-11(9)15/h4-6H,1-3H3,(H4,15,16,17,19)
InChIKeyIWPHXSVEEYGWPM-UHFFFAOYSA-N
MW401.21 g/mol
LogP2.56
Rot. Bonds4

About 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 130435891) has the molecular formula C13H16IN5O2 and a molecular weight of 401.21 g/mol. Its IUPAC name is 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID130435891
Molecular FormulaC13H16IN5O2
Molecular Weight401.21 g/mol
Exact Mass401.03
IUPAC Name5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
InChIInChI=1S/C13H16IN5O2/c1-6(2)10-8(4-7(14)12(18-10)20-3)21-9-5-17-13(16)19-11(9)15/h4-6H,1-3H3,(H4,15,16,17,19)
InChIKeyIWPHXSVEEYGWPM-UHFFFAOYSA-N
XLogP2.56
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.21
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine with MolForge

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Related Compounds

(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946
4-N-butyl-5-[(3,4-dimethoxy-2-pyridinyl)methoxy]pyrimidine-2,4-diamine
CID 66575872
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrimidine
CID 71488707
US10155760, Example 139
CID 129279900
US10544120, Example 319
CID 135282515
US10544120, Example 323
CID 145743417
3-(Difluoromethoxy)-5-[2-ethyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidin-4-yl]pyridin-2-amine
CID 117688600
3-(Difluoromethoxy)-5-[2-ethyl-6-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]pyridin-2-amine
CID 117688708
5-[2-Cyclopropyl-6-[1-(2-methoxyethyl)piperidin-4-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117688773
US10155760, Example 150
CID 129279903
US10155760, Example 140
CID 129279942
US10544120, Example 359
CID 135282554

Frequently Asked Questions

What is the IUPAC name of 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 130435891) is 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1I.
What is the InChIKey of 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is IWPHXSVEEYGWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN5O2/c1-6(2)10-8(4-7(14)12(18-10)20-3)21-9-5-17-13(16)19-11(9)15/h4-6H,1-3H3,(H4,15,16,17,19).
What are the key properties of 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 401.21 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-iodo-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 130435891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).