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

C13H16ClN5O2 — CID 130474302

IUPAC5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1Cl
InChIInChI=1S/C13H16ClN5O2/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)
InChIKeyIOKCFIUJLILSIZ-UHFFFAOYSA-N
MW309.76 g/mol
LogP2.61
Rot. Bonds4

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

5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 130474302) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID130474302
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1Cl
InChIInChI=1S/C13H16ClN5O2/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)
InChIKeyIOKCFIUJLILSIZ-UHFFFAOYSA-N
XLogP2.61
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 130474302) is 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1Cl.
What is the InChIKey of 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is IOKCFIUJLILSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/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-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 309.76 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 130474302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).