2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

C14H17N5O — CID 106376159

IUPAC2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3ncc(C)o3)c2n1
InChIInChI=1S/C14H17N5O/c1-7-5-16-11(20-7)6-19-9(3)8(2)12-13(15)17-10(4)18-14(12)19/h5H,6H2,1-4H3,(H2,15,17,18)
InChIKeyAYDWJCAIJDRBMH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.28
Rot. Bonds2

About 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 106376159) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID106376159
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3ncc(C)o3)c2n1
InChIInChI=1S/C14H17N5O/c1-7-5-16-11(20-7)6-19-9(3)8(2)12-13(15)17-10(4)18-14(12)19/h5H,6H2,1-4H3,(H2,15,17,18)
InChIKeyAYDWJCAIJDRBMH-UHFFFAOYSA-N
XLogP2.28
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 106376159) is 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(Cc3ncc(C)o3)c2n1.
What is the InChIKey of 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AYDWJCAIJDRBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-7-5-16-11(20-7)6-19-9(3)8(2)12-13(15)17-10(4)18-14(12)19/h5H,6H2,1-4H3,(H2,15,17,18).
What are the key properties of 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106376159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).