5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine

C15H17N5O — CID 147504835

IUPAC5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1
InChIInChI=1S/C15H17N5O/c1-4-5-10-6-12(11(7-18-10)9(2)3)21-13-8-19-15(17)20-14(13)16/h6-9H,1-3H3,(H4,16,17,19,20)
InChIKeyFICXDGOQGVTZHX-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.32
Rot. Bonds3

About 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine

5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 147504835) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID147504835
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1
InChIInChI=1S/C15H17N5O/c1-4-5-10-6-12(11(7-18-10)9(2)3)21-13-8-19-15(17)20-14(13)16/h6-9H,1-3H3,(H4,16,17,19,20)
InChIKeyFICXDGOQGVTZHX-UHFFFAOYSA-N
XLogP2.32
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
CID 158412823
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587
5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 126513190
5-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-4-propan-2-ylbenzenesulfonamide
CID 129106128
5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
CID 58826988
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine
CID 141170810
5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 155471079
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
CID 57329522
2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
CID 158850448

Frequently Asked Questions

What is the IUPAC name of 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 147504835) is 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is CC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1.
What is the InChIKey of 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is FICXDGOQGVTZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-4-5-10-6-12(11(7-18-10)9(2)3)21-13-8-19-15(17)20-14(13)16/h6-9H,1-3H3,(H4,16,17,19,20).
What are the key properties of 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 283.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 147504835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).