[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol

C10H15N5O4 — CID 106301168

IUPAC[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESNc1ncnc(NC2(CO)CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O4/c11-8-7(15(17)18)9(13-6-12-8)14-10(5-16)1-3-19-4-2-10/h6,16H,1-5H2,(H3,11,12,13,14)
InChIKeyRBRNUDBZGPFKAZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.08
Rot. Bonds4

About [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol

[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol (PubChem CID 106301168) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
PubChem CID106301168
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESNc1ncnc(NC2(CO)CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O4/c11-8-7(15(17)18)9(13-6-12-8)14-10(5-16)1-3-19-4-2-10/h6,16H,1-5H2,(H3,11,12,13,14)
InChIKeyRBRNUDBZGPFKAZ-UHFFFAOYSA-N
XLogP-0.08
TPSA136.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[(6-chloro-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170521
[1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80832991
5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine
CID 71336225
3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103547
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
CID 106296813
[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106299450
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106301141
[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301522
[4-[3-(methylamino)-2-nitroanilino]oxan-4-yl]methanol
CID 106301126
4-N-(2,2-dimethylpropyl)-5-nitropyrimidine-4,6-diamine
CID 80798432
[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315

Frequently Asked Questions

What is the IUPAC name of [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol (CID 106301168) is [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol is Nc1ncnc(NC2(CO)CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol?
The InChIKey is RBRNUDBZGPFKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-8-7(15(17)18)9(13-6-12-8)14-10(5-16)1-3-19-4-2-10/h6,16H,1-5H2,(H3,11,12,13,14).
What are the key properties of [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol?
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol has a molecular weight of 269.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106301168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).