4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

C11H15N5O2 — CID 126564478

IUPAC4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N)c2c(C(N)=O)cn(C[C@@H](C)O)c2n1
InChIInChI=1S/C11H15N5O2/c1-5(17)3-16-4-7(10(13)18)8-9(12)14-6(2)15-11(8)16/h4-5,17H,3H2,1-2H3,(H2,13,18)(H2,12,14,15)/t5-/m1/s1
InChIKeyFWERDKHJABGHGK-RXMQYKEDSA-N
MW249.27 g/mol
LogP-0.20
Rot. Bonds3

About 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 126564478) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID126564478
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N)c2c(C(N)=O)cn(C[C@@H](C)O)c2n1
InChIInChI=1S/C11H15N5O2/c1-5(17)3-16-4-7(10(13)18)8-9(12)14-6(2)15-11(8)16/h4-5,17H,3H2,1-2H3,(H2,13,18)(H2,12,14,15)/t5-/m1/s1
InChIKeyFWERDKHJABGHGK-RXMQYKEDSA-N
XLogP-0.20
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 126564478) is 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is Cc1nc(N)c2c(C(N)=O)cn(C[C@@H](C)O)c2n1.
What is the InChIKey of 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FWERDKHJABGHGK-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-5(17)3-16-4-7(10(13)18)8-9(12)14-6(2)15-11(8)16/h4-5,17H,3H2,1-2H3,(H2,13,18)(H2,12,14,15)/t5-/m1/s1.
What are the key properties of 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[(2R)-2-hydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 126564478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).