1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

C8H14ClN5O — CID 80915615

IUPAC1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(NN)ncc1Cl
InChIInChI=1S/C8H14ClN5O/c1-8(2,15)4-12-6-5(9)3-11-7(13-6)14-10/h3,15H,4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyXDLLBBYNJKCWBP-UHFFFAOYSA-N
MW231.69 g/mol
LogP0.60
Rot. Bonds4

About 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 80915615) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID80915615
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(NN)ncc1Cl
InChIInChI=1S/C8H14ClN5O/c1-8(2,15)4-12-6-5(9)3-11-7(13-6)14-10/h3,15H,4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyXDLLBBYNJKCWBP-UHFFFAOYSA-N
XLogP0.60
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851413
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908156
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060917
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915223

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 80915615) is 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(NN)ncc1Cl.
What is the InChIKey of 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is XDLLBBYNJKCWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O/c1-8(2,15)4-12-6-5(9)3-11-7(13-6)14-10/h3,15H,4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 231.69 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 80915615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).