4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

C12H15N7O3 — CID 166799618

IUPAC4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC[C@H]1O[C@@H](n2cc(C(N)=O)c3c(N)ncnc32)CC1N=O
InChIInChI=1S/C12H15N7O3/c13-2-7-6(18-21)1-8(22-7)19-3-5(11(15)20)9-10(14)16-4-17-12(9)19/h3-4,6-8H,1-2,13H2,(H2,15,20)(H2,14,16,17)/t6?,7-,8-/m1/s1
InChIKeyCVJSLLSFFPHTDO-SPDVFEMOSA-N
MW305.30 g/mol
LogP-0.51
Rot. Bonds4

About 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 166799618) has the molecular formula C12H15N7O3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID166799618
Molecular FormulaC12H15N7O3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC[C@H]1O[C@@H](n2cc(C(N)=O)c3c(N)ncnc32)CC1N=O
InChIInChI=1S/C12H15N7O3/c13-2-7-6(18-21)1-8(22-7)19-3-5(11(15)20)9-10(14)16-4-17-12(9)19/h3-4,6-8H,1-2,13H2,(H2,15,20)(H2,14,16,17)/t6?,7-,8-/m1/s1
InChIKeyCVJSLLSFFPHTDO-SPDVFEMOSA-N
XLogP-0.51
TPSA164.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 142827493
4-amino-7-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 512291
4-amino-7-[(2R,3R,4R,5R)-5-(2-amino-1-hydroxyethyl)-3,4-dihydroxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 10472290
(2S,3R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154810042
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 72614501
(2R,3S,5S)-5-[4-amino-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 54435537
4-amino-8-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 156597119
(2R,5R)-5-(4-amino-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 177120509
4-[(2R,3R,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-ethyloxolan-3-yl]oxybutan-2-one
CID 163622545
4-amino-7-[9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 90802374
4-amino-7-[(2R,3S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 142834340
N',4-diamino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboximidamide
CID 175677675

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 166799618) is 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is NC[C@H]1O[C@@H](n2cc(C(N)=O)c3c(N)ncnc32)CC1N=O.
What is the InChIKey of 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CVJSLLSFFPHTDO-SPDVFEMOSA-N. The full InChI is InChI=1S/C12H15N7O3/c13-2-7-6(18-21)1-8(22-7)19-3-5(11(15)20)9-10(14)16-4-17-12(9)19/h3-4,6-8H,1-2,13H2,(H2,15,20)(H2,14,16,17)/t6?,7-,8-/m1/s1.
What are the key properties of 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 305.30 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 166799618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).