3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol

C11H19N5O2 — CID 81006614

IUPAC3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1c(NN)nc(C2CC2)nc1NCC(O)CO
InChIInChI=1S/C11H19N5O2/c1-6-9(13-4-8(18)5-17)14-11(7-2-3-7)15-10(6)16-12/h7-8,17-18H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyJJBLBSHKAPLJMZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.29
Rot. Bonds6

About 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol

3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 81006614) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID81006614
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1c(NN)nc(C2CC2)nc1NCC(O)CO
InChIInChI=1S/C11H19N5O2/c1-6-9(13-4-8(18)5-17)14-11(7-2-3-7)15-10(6)16-12/h7-8,17-18H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyJJBLBSHKAPLJMZ-UHFFFAOYSA-N
XLogP-0.29
TPSA116.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80995092
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 81006717
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 81000903
3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992823
ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80995205
2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
CID 115565442
N-(2-cyclohexylethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994713
1-cyclopropyl-2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 81006562
1-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150366
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80995526
N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007682

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol (CID 81006614) is 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol is Cc1c(NN)nc(C2CC2)nc1NCC(O)CO.
What is the InChIKey of 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is JJBLBSHKAPLJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-6-9(13-4-8(18)5-17)14-11(7-2-3-7)15-10(6)16-12/h7-8,17-18H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol?
3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 253.31 g/mol, XLogP of -0.29, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 81006614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).