(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C13H25N5O — CID 80968489

IUPAC(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H25N5O/c1-8(2)9(7-19)15-10-6-11(18-14)17-12(16-10)13(3,4)5/h6,8-9,19H,7,14H2,1-5H3,(H2,15,16,17,18)/t9-/m1/s1
InChIKeySWENHEIFFCAWKQ-SECBINFHSA-N
MW267.38 g/mol
LogP1.49
Rot. Bonds5

About (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 80968489) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID80968489
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H25N5O/c1-8(2)9(7-19)15-10-6-11(18-14)17-12(16-10)13(3,4)5/h6,8-9,19H,7,14H2,1-5H3,(H2,15,16,17,18)/t9-/m1/s1
InChIKeySWENHEIFFCAWKQ-SECBINFHSA-N
XLogP1.49
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.49
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

(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923311
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80963892
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968898
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
CID 80968241
3-N-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80963806
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
2-tert-butyl-4-N-(2-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960854
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179473
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437
(2S)-2-[(6-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80648091
(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 114986067

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 80968489) is (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is SWENHEIFFCAWKQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H25N5O/c1-8(2)9(7-19)15-10-6-11(18-14)17-12(16-10)13(3,4)5/h6,8-9,19H,7,14H2,1-5H3,(H2,15,16,17,18)/t9-/m1/s1.
What are the key properties of (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80968489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).