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

C14H19N5O2 — CID 130435933

IUPAC5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
InChIInChI=1S/C14H19N5O2/c1-7(2)11-9(5-8(3)13(18-11)20-4)21-10-6-17-14(16)19-12(10)15/h5-7H,1-4H3,(H4,15,16,17,19)
InChIKeyAJTKEKPTTKWRCD-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.27
Rot. Bonds4

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

5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 130435933) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID130435933
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
InChIInChI=1S/C14H19N5O2/c1-7(2)11-9(5-8(3)13(18-11)20-4)21-10-6-17-14(16)19-12(10)15/h5-7H,1-4H3,(H4,15,16,17,19)
InChIKeyAJTKEKPTTKWRCD-UHFFFAOYSA-N
XLogP2.27
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 130435933) is 5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1C.
What is the InChIKey of 5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is AJTKEKPTTKWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-7(2)11-9(5-8(3)13(18-11)20-4)21-10-6-17-14(16)19-12(10)15/h5-7H,1-4H3,(H4,15,16,17,19).
What are the key properties of 5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 130435933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).