4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

C13H17N5O3 — CID 126561931

IUPAC4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N)c2c(C(N)=O)cn([C@H]3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C13H17N5O3/c1-6-16-11(14)10-8(12(15)20)4-18(13(10)17-6)9-3-2-7(5-19)21-9/h4,7,9,19H,2-3,5H2,1H3,(H2,15,20)(H2,14,16,17)/t7-,9+/m0/s1
InChIKeyJQCSAXOQBCHVDR-IONNQARKSA-N
MW291.31 g/mol
LogP0.09
Rot. Bonds3

About 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 126561931) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID126561931
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N)c2c(C(N)=O)cn([C@H]3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C13H17N5O3/c1-6-16-11(14)10-8(12(15)20)4-18(13(10)17-6)9-3-2-7(5-19)21-9/h4,7,9,19H,2-3,5H2,1H3,(H2,15,20)(H2,14,16,17)/t7-,9+/m0/s1
InChIKeyJQCSAXOQBCHVDR-IONNQARKSA-N
XLogP0.09
TPSA129.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 126561931) is 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is Cc1nc(N)c2c(C(N)=O)cn([C@H]3CC[C@@H](CO)O3)c2n1.
What is the InChIKey of 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JQCSAXOQBCHVDR-IONNQARKSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-6-16-11(14)10-8(12(15)20)4-18(13(10)17-6)9-3-2-7(5-19)21-9/h4,7,9,19H,2-3,5H2,1H3,(H2,15,20)(H2,14,16,17)/t7-,9+/m0/s1.
What are the key properties of 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 126561931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).