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

C13H17FN6O — CID 155130494

IUPAC5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCNc1cc(Oc2cnc(N)nc2N)c(C(C)C)c(F)n1
InChIInChI=1S/C13H17FN6O/c1-6(2)10-7(4-9(17-3)19-11(10)14)21-8-5-18-13(16)20-12(8)15/h4-6H,1-3H3,(H,17,19)(H4,15,16,18,20)
InChIKeyORTADPVVOBDUIL-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.13
Rot. Bonds4

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

5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine (PubChem CID 155130494) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
PubChem CID155130494
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCNc1cc(Oc2cnc(N)nc2N)c(C(C)C)c(F)n1
InChIInChI=1S/C13H17FN6O/c1-6(2)10-7(4-9(17-3)19-11(10)14)21-8-5-18-13(16)20-12(8)15/h4-6H,1-3H3,(H,17,19)(H4,15,16,18,20)
InChIKeyORTADPVVOBDUIL-UHFFFAOYSA-N
XLogP2.13
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine (CID 155130494) is 5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine is CNc1cc(Oc2cnc(N)nc2N)c(C(C)C)c(F)n1.
What is the InChIKey of 5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The InChIKey is ORTADPVVOBDUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-6(2)10-7(4-9(17-3)19-11(10)14)21-8-5-18-13(16)20-12(8)15/h4-6H,1-3H3,(H,17,19)(H4,15,16,18,20).
What are the key properties of 5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine has a molecular weight of 292.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 155130494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).