CID 10265641

C11H15BN4O4 — CID 10265641

IUPAC—
SMILESCc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O.[B]C#N
InChIInChI=1S/C10H15N3O4.CBN/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8;2-1-3/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16);/t6-,7+,8+;/m0./s1
InChIKeyZADPIAXEKLNLRA-HNPMAXIBSA-N
MW278.08 g/mol
LogP-1.91
Rot. Bonds2

About CID 10265641

CID 10265641 (PubChem CID 10265641) has the molecular formula C11H15BN4O4 and a molecular weight of 278.08 g/mol.

Molecular Properties

Compound NameCID 10265641
PubChem CID10265641
Molecular FormulaC11H15BN4O4
Molecular Weight278.08 g/mol
Exact Mass278.12
IUPAC Name—
SMILESCc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O.[B]C#N
InChIInChI=1S/C10H15N3O4.CBN/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8;2-1-3/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16);/t6-,7+,8+;/m0./s1
InChIKeyZADPIAXEKLNLRA-HNPMAXIBSA-N
XLogP-1.91
TPSA134.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.08
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118311659
1-[(2S,5R)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 154531744
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 21120354
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
CID 14430116
1-[4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14035977
1-[(2R,5R)-4-bromo-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 21145514
1-[(4R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134356951
3-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxypropanenitrile
CID 69164526
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;isothiocyanic acid
CID 172815455

Frequently Asked Questions

What is the IUPAC name of CID 10265641?
The IUPAC name of CID 10265641 (CID 10265641) is not available.
What is the SMILES notation for CID 10265641?
The canonical SMILES for CID 10265641 is Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O.[B]C#N.
What is the InChIKey of CID 10265641?
The InChIKey is ZADPIAXEKLNLRA-HNPMAXIBSA-N. The full InChI is InChI=1S/C10H15N3O4.CBN/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8;2-1-3/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16);/t6-,7+,8+;/m0./s1.
What are the key properties of CID 10265641?
CID 10265641 has a molecular weight of 278.08 g/mol, XLogP of -1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10265641 is sourced from PubChem (CID 10265641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).