1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

C9H17N5O — CID 80922992

IUPAC1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccnc(NN)n1
InChIInChI=1S/C9H17N5O/c1-9(2,15)6-14(3)7-4-5-11-8(12-7)13-10/h4-5,15H,6,10H2,1-3H3,(H,11,12,13)
InChIKeyILVIXRZSPQUCSO-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.03
Rot. Bonds4

About 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80922992) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80922992
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccnc(NN)n1
InChIInChI=1S/C9H17N5O/c1-9(2,15)6-14(3)7-4-5-11-8(12-7)13-10/h4-5,15H,6,10H2,1-3H3,(H,11,12,13)
InChIKeyILVIXRZSPQUCSO-UHFFFAOYSA-N
XLogP-0.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
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

2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848543
1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80848859
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899795
3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80905657
2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80896435
1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79386016
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80791966
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80922994
2-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905612
N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80900495

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 80922992) is 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1ccnc(NN)n1.
What is the InChIKey of 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is ILVIXRZSPQUCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-9(2,15)6-14(3)7-4-5-11-8(12-7)13-10/h4-5,15H,6,10H2,1-3H3,(H,11,12,13).
What are the key properties of 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 211.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80922992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).