1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

C14H27N5O2 — CID 80995833

IUPAC1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O2/c1-9-11(18-15)16-13(14(2,3)4)17-12(9)19(5)7-10(20)8-21-6/h10,20H,7-8,15H2,1-6H3,(H,16,17,18)
InChIKeyUWUSWUCGHYPRSL-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.81
Rot. Bonds6

About 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 80995833) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID80995833
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O2/c1-9-11(18-15)16-13(14(2,3)4)17-12(9)19(5)7-10(20)8-21-6/h10,20H,7-8,15H2,1-6H3,(H,16,17,18)
InChIKeyUWUSWUCGHYPRSL-UHFFFAOYSA-N
XLogP0.81
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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]propan-2-ol
CID 81006399
2-tert-butyl-N-ethyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-5-methylpyrimidin-4-amine
CID 81006164
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
1-methoxy-3-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-2-ol
CID 80983293
2-tert-butyl-6-hydrazinyl-5-methyl-N,N-dipropylpyrimidin-4-amine
CID 81000249
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006290
(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 95723879
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 63729834
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
CID 81006868

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (CID 80995833) is 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1nc(C(C)(C)C)nc(NN)c1C.
What is the InChIKey of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is UWUSWUCGHYPRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-9-11(18-15)16-13(14(2,3)4)17-12(9)19(5)7-10(20)8-21-6/h10,20H,7-8,15H2,1-6H3,(H,16,17,18).
What are the key properties of 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80995833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).