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

C12H14ClN5O — CID 146940256

IUPAC5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(Cl)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H14ClN5O/c1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeyAGSPLJZFKPBSFH-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.61
Rot. Bonds3

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

5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 146940256) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID146940256
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(Cl)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H14ClN5O/c1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeyAGSPLJZFKPBSFH-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

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-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 146940256) is 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is CC(C)c1cnc(Cl)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is AGSPLJZFKPBSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-6(2)7-4-16-10(13)3-8(7)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-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(2-chloro-5-propan-2-yl-4-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-[(2-chloro-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 146940256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).