4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide

C10H13N5O — CID 118101334

IUPAC4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H13N5O/c1-5(2)15-3-6(9(12)16)7-8(11)13-4-14-10(7)15/h3-5H,1-2H3,(H2,12,16)(H2,11,13,14)
InChIKeyWGKXWRBQGDUEGF-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.69
Rot. Bonds2

About 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 118101334) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID118101334
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H13N5O/c1-5(2)15-3-6(9(12)16)7-8(11)13-4-14-10(7)15/h3-5H,1-2H3,(H2,12,16)(H2,11,13,14)
InChIKeyWGKXWRBQGDUEGF-UHFFFAOYSA-N
XLogP0.69
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 118101334) is 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide is CC(C)n1cc(C(N)=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is WGKXWRBQGDUEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-5(2)15-3-6(9(12)16)7-8(11)13-4-14-10(7)15/h3-5H,1-2H3,(H2,12,16)(H2,11,13,14).
What are the key properties of 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 118101334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).