CID 71434270

C14H15N6O4 — CID 71434270

IUPAC—
SMILESCC[C@@H](NC(=O)Nc1ncnc2c1ncn2[C@H]1[CH][CH][CH]O1)C(=O)O
InChIInChI=1S/C14H15N6O4/c1-2-8(13(21)22)18-14(23)19-11-10-12(16-6-15-11)20(7-17-10)9-4-3-5-24-9/h3-9H,2H2,1H3,(H,21,22)(H2,15,16,18,19,23)/t8-,9-/m1/s1
InChIKeyQXBQTBWLEDHCAH-RKDXNWHRSA-N
MW331.31 g/mol
LogP0.91
Rot. Bonds5

About CID 71434270

CID 71434270 (PubChem CID 71434270) has the molecular formula C14H15N6O4 and a molecular weight of 331.31 g/mol.

Molecular Properties

Compound NameCID 71434270
PubChem CID71434270
Molecular FormulaC14H15N6O4
Molecular Weight331.31 g/mol
Exact Mass331.12
IUPAC Name—
SMILESCC[C@@H](NC(=O)Nc1ncnc2c1ncn2[C@H]1[CH][CH][CH]O1)C(=O)O
InChIInChI=1S/C14H15N6O4/c1-2-8(13(21)22)18-14(23)19-11-10-12(16-6-15-11)20(7-17-10)9-4-3-5-24-9/h3-9H,2H2,1H3,(H,21,22)(H2,15,16,18,19,23)/t8-,9-/m1/s1
InChIKeyQXBQTBWLEDHCAH-RKDXNWHRSA-N
XLogP0.91
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[[9-[(3aR,4R,6R,6aR)-6-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]carbamoylamino]pentanedioic acid
CID 159551964
methyl 2,6-bis[[9-(5-ethyl-3,4-dimethyloxolan-2-yl)purin-6-yl]carbamoylamino]hexanoate
CID 59188261
3-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]propanoic acid
CID 59812559
2-[[(2S)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbonyl]amino]acetic acid
CID 59659014
1-[9-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]-3-ethylurea
CID 46877243
2-[4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetic acid
CID 69302874
2-[[9-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
CID 121370762
(2S)-2-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
CID 162464181
2-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
CID 14803430
2-[[5-[6-(ethylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy]pyridine-3-carboxylic acid
CID 143324447
2-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-hydroxybutanamide
CID 163057566
3-[(2R,4R,6R,6aS)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanoic acid
CID 71160331

Frequently Asked Questions

What is the IUPAC name of CID 71434270?
The IUPAC name of CID 71434270 (CID 71434270) is not available.
What is the SMILES notation for CID 71434270?
The canonical SMILES for CID 71434270 is CC[C@@H](NC(=O)Nc1ncnc2c1ncn2[C@H]1[CH][CH][CH]O1)C(=O)O.
What is the InChIKey of CID 71434270?
The InChIKey is QXBQTBWLEDHCAH-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H15N6O4/c1-2-8(13(21)22)18-14(23)19-11-10-12(16-6-15-11)20(7-17-10)9-4-3-5-24-9/h3-9H,2H2,1H3,(H,21,22)(H2,15,16,18,19,23)/t8-,9-/m1/s1.
What are the key properties of CID 71434270?
CID 71434270 has a molecular weight of 331.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71434270 is sourced from PubChem (CID 71434270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).