(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C10H19N5O — CID 80923311

IUPAC(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCc1cc(N[C@H](CO)C(C)C)nc(NN)n1
InChIInChI=1S/C10H19N5O/c1-6(2)8(5-16)13-9-4-7(3)12-10(14-9)15-11/h4,6,8,16H,5,11H2,1-3H3,(H2,12,13,14,15)/t8-/m1/s1
InChIKeyCPJZKLMFFJIZOC-MRVPVSSYSA-N
MW225.30 g/mol
LogP0.50
Rot. Bonds5

About (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 80923311) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID80923311
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCc1cc(N[C@H](CO)C(C)C)nc(NN)n1
InChIInChI=1S/C10H19N5O/c1-6(2)8(5-16)13-9-4-7(3)12-10(14-9)15-11/h4,6,8,16H,5,11H2,1-3H3,(H2,12,13,14,15)/t8-/m1/s1
InChIKeyCPJZKLMFFJIZOC-MRVPVSSYSA-N
XLogP0.50
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.50
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-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570
methyl 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 79249417
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968489
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80897678
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
N-(dicyclopropylmethyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80897563
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80923491
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
N-[1-(furan-2-yl)ethyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80907427

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 80923311) is (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is Cc1cc(N[C@H](CO)C(C)C)nc(NN)n1.
What is the InChIKey of (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is CPJZKLMFFJIZOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6(2)8(5-16)13-9-4-7(3)12-10(14-9)15-11/h4,6,8,16H,5,11H2,1-3H3,(H2,12,13,14,15)/t8-/m1/s1.
What are the key properties of (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 225.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80923311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).