1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol

C13H25N5O — CID 81006399

IUPAC1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCc1c(NN)nc(C(C)(C)C)nc1N(C)CC(C)O
InChIInChI=1S/C13H25N5O/c1-8(19)7-18(6)11-9(2)10(17-14)15-12(16-11)13(3,4)5/h8,19H,7,14H2,1-6H3,(H,15,16,17)
InChIKeyIYFDXZKFFMWUNT-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.19
Rot. Bonds4

About 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol

1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol (PubChem CID 81006399) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
PubChem CID81006399
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCc1c(NN)nc(C(C)(C)C)nc1N(C)CC(C)O
InChIInChI=1S/C13H25N5O/c1-8(19)7-18(6)11-9(2)10(17-14)15-12(16-11)13(3,4)5/h8,19H,7,14H2,1-6H3,(H,15,16,17)
InChIKeyIYFDXZKFFMWUNT-UHFFFAOYSA-N
XLogP1.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.19
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

1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80995833
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 81007045
3-[[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81006464
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006290
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950187
2-tert-butyl-6-hydrazinyl-5-methyl-N,N-dipropylpyrimidin-4-amine
CID 81000249
2-tert-butyl-N-ethyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-5-methylpyrimidin-4-amine
CID 81006164
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 81007223
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 81007643
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide
CID 80993837

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol (CID 81006399) is 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol is Cc1c(NN)nc(C(C)(C)C)nc1N(C)CC(C)O.
What is the InChIKey of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The InChIKey is IYFDXZKFFMWUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-8(19)7-18(6)11-9(2)10(17-14)15-12(16-11)13(3,4)5/h8,19H,7,14H2,1-6H3,(H,15,16,17).
What are the key properties of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol has a molecular weight of 267.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 81006399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).