3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

C10H15N5O4 — CID 106103547

IUPAC3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O4/c1-6-10(16,2-3-19-6)4-12-9-7(15(17)18)8(11)13-5-14-9/h5-6,16H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyYILHNOMVRRZUDU-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.08
Rot. Bonds4

About 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106103547) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106103547
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O4/c1-6-10(16,2-3-19-6)4-12-9-7(15(17)18)8(11)13-5-14-9/h5-6,16H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyYILHNOMVRRZUDU-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

3-[[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106102324
3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 114143769
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103690
2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143795
3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol
CID 107269634
3-[[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103575
3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103523
4-N-(2,2-dimethylpropyl)-5-nitropyrimidine-4,6-diamine
CID 80798432
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301168
3-[[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106103503
1-[(6-amino-5-nitropyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80840719

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106103547) is 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is YILHNOMVRRZUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-6-10(16,2-3-19-6)4-12-9-7(15(17)18)8(11)13-5-14-9/h5-6,16H,2-4H2,1H3,(H3,11,12,13,14).
What are the key properties of 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol 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 3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106103547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).