(2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C12H23N5O — CID 80923492

IUPAC(2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)c1c(NN)ncnc1N[C@H](CO)C(C)C
InChIInChI=1S/C12H23N5O/c1-7(2)9(5-18)16-11-10(8(3)4)12(17-13)15-6-14-11/h6-9,18H,5,13H2,1-4H3,(H2,14,15,16,17)/t9-/m1/s1
InChIKeyIDWFPTJVPGAFGH-SECBINFHSA-N
MW253.35 g/mol
LogP1.31
Rot. Bonds6

About (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 80923492) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID80923492
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name(2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)c1c(NN)ncnc1N[C@H](CO)C(C)C
InChIInChI=1S/C12H23N5O/c1-7(2)9(5-18)16-11-10(8(3)4)12(17-13)15-6-14-11/h6-9,18H,5,13H2,1-4H3,(H2,14,15,16,17)/t9-/m1/s1
InChIKeyIDWFPTJVPGAFGH-SECBINFHSA-N
XLogP1.31
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.31
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'}

Analyze (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 80848028
3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80847962
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine
CID 106026043
2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83027639
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
6-hydrazinyl-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80901918
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358434
5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138739
5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 80923492) is (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is CC(C)c1c(NN)ncnc1N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is IDWFPTJVPGAFGH-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N5O/c1-7(2)9(5-18)16-11-10(8(3)4)12(17-13)15-6-14-11/h6-9,18H,5,13H2,1-4H3,(H2,14,15,16,17)/t9-/m1/s1.
What are the key properties of (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80923492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).