(2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol

C12H19N5O3 — CID 143196372

IUPAC(2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol
SMILESC/C=N/c1c(N)ncnc1N[C@@H]1O[C@H](CC)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H19N5O3/c1-3-6-8(18)9(19)12(20-6)17-11-7(14-4-2)10(13)15-5-16-11/h4-6,8-9,12,18-19H,3H2,1-2H3,(H3,13,15,16,17)/b14-4+/t6-,8-,9-,12-/m1/s1
InChIKeyIDTQULWDKFCTJZ-QOYQAUPOSA-N
MW281.32 g/mol
LogP0.05
Rot. Bonds4

About (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol

(2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol (PubChem CID 143196372) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol
PubChem CID143196372
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol
SMILESC/C=N/c1c(N)ncnc1N[C@@H]1O[C@H](CC)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H19N5O3/c1-3-6-8(18)9(19)12(20-6)17-11-7(14-4-2)10(13)15-5-16-11/h4-6,8-9,12,18-19H,3H2,1-2H3,(H3,13,15,16,17)/b14-4+/t6-,8-,9-,12-/m1/s1
InChIKeyIDTQULWDKFCTJZ-QOYQAUPOSA-N
XLogP0.05
TPSA125.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol 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

[(2R,3S,4R,5R)-5-[(6-amino-5-nitropyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 11724091
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[[8-(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]oxolane-3,4-diol
CID 14444273
3-amino-5-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1-methylpyrimido[4,5-c]pyridazin-4-one
CID 90467042
5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol
CID 145143955
(2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 142854777
methyl 4-chloro-6-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidine-5-carboxylate
CID 10064578
(2R,3R,4S,5R)-2-[[6-[ethyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolane-3,4-diol
CID 101234336
(2R,3R,4S,5S,6R)-2-[[5-amino-2-(dimethylamino)pyrimidin-4-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171383933
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol
CID 70184570
(2R,3R,4S,5R)-2-[[6-(dimethylamino)-5-nitropyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolane-3,4-diol
CID 58996356
(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyloxolane-3,4-diol
CID 118409921
2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol
CID 76777733

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol (CID 143196372) is (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol is C/C=N/c1c(N)ncnc1N[C@@H]1O[C@H](CC)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol?
The InChIKey is IDTQULWDKFCTJZ-QOYQAUPOSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-6-8(18)9(19)12(20-6)17-11-7(14-4-2)10(13)15-5-16-11/h4-6,8-9,12,18-19H,3H2,1-2H3,(H3,13,15,16,17)/b14-4+/t6-,8-,9-,12-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol?
(2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol has a molecular weight of 281.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol is sourced from PubChem (CID 143196372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).