2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol

C12H21N5O — CID 80995092

IUPAC2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCc1c(NN)nc(C2CC2)nc1NC(C)(C)CO
InChIInChI=1S/C12H21N5O/c1-7-9(16-12(2,3)6-18)14-11(8-4-5-8)15-10(7)17-13/h8,18H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyDTLYTILRILTBHX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.13
Rot. Bonds5

About 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol

2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol (PubChem CID 80995092) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
PubChem CID80995092
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCc1c(NN)nc(C2CC2)nc1NC(C)(C)CO
InChIInChI=1S/C12H21N5O/c1-7-9(16-12(2,3)6-18)14-11(8-4-5-8)15-10(7)17-13/h8,18H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyDTLYTILRILTBHX-UHFFFAOYSA-N
XLogP1.13
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.13
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

2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 81006717
3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 81006614
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098766
N-(2-cyclohexylethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994713
1-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150366
ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80995205
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 81000903
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80995526
2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
CID 115565442
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982786
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
CID 81006052

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol (CID 80995092) is 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol is Cc1c(NN)nc(C2CC2)nc1NC(C)(C)CO.
What is the InChIKey of 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The InChIKey is DTLYTILRILTBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-7-9(16-12(2,3)6-18)14-11(8-4-5-8)15-10(7)17-13/h8,18H,4-6,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80995092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).