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

C13H25N5O — CID 107159905

IUPAC1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H25N5O/c1-8(2)5-10(19)6-15-12-11(9(3)4)13(18-14)17-7-16-12/h7-10,19H,5-6,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyDIOGNMVRMOMNJU-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.70
Rot. Bonds7

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

1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol (PubChem CID 107159905) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
PubChem CID107159905
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H25N5O/c1-8(2)5-10(19)6-15-12-11(9(3)4)13(18-14)17-7-16-12/h7-10,19H,5-6,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyDIOGNMVRMOMNJU-UHFFFAOYSA-N
XLogP1.70
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.70
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

6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138739
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159522
1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107154942
6-hydrazinyl-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80900343
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159733
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903053
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915508
3-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138684

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol (CID 107159905) is 1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1ncnc(NN)c1C(C)C.
What is the InChIKey of 1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The InChIKey is DIOGNMVRMOMNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-8(2)5-10(19)6-15-12-11(9(3)4)13(18-14)17-7-16-12/h7-10,19H,5-6,14H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol has a molecular weight of 267.38 g/mol, XLogP of 1.70, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).