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

C13H17N5O — CID 142576027

IUPAC5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1
InChIInChI=1S/C13H17N5O/c1-7(2)9-5-16-8(3)4-10(9)19-11-6-17-13(15)18-12(11)14/h4-7H,1-3H3,(H4,14,15,17,18)
InChIKeyWHXGJYHUGMGUEJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.26
Rot. Bonds3

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

5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 142576027) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID142576027
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1
InChIInChI=1S/C13H17N5O/c1-7(2)9-5-16-8(3)4-10(9)19-11-6-17-13(15)18-12(11)14/h4-7H,1-3H3,(H4,14,15,17,18)
InChIKeyWHXGJYHUGMGUEJ-UHFFFAOYSA-N
XLogP2.26
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 142576027) is 5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1.
What is the InChIKey of 5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is WHXGJYHUGMGUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-7(2)9-5-16-8(3)4-10(9)19-11-6-17-13(15)18-12(11)14/h4-7H,1-3H3,(H4,14,15,17,18).
What are the key properties of 5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 259.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 142576027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).