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

C12H14ClN5O — CID 142576067

IUPAC5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1ncc(Cl)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H14ClN5O/c1-6(2)10-8(3-7(13)4-16-10)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeyGWRKJESGDZRWLP-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.61
Rot. Bonds3

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

5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 142576067) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID142576067
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1ncc(Cl)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H14ClN5O/c1-6(2)10-8(3-7(13)4-16-10)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeyGWRKJESGDZRWLP-UHFFFAOYSA-N
XLogP2.61
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 142576067) is 5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is CC(C)c1ncc(Cl)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is GWRKJESGDZRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-6(2)10-8(3-7(13)4-16-10)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H4,14,15,17,18).
What are the key properties of 5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 279.73 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 142576067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).