1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol

C13H25N5O2 — CID 106256542

IUPAC1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCCc1nc(NN)cc(NCC(C)(O)CCOC)n1
InChIInChI=1S/C13H25N5O2/c1-4-5-10-16-11(8-12(17-10)18-14)15-9-13(2,19)6-7-20-3/h8,19H,4-7,9,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPGJBVHJLECBYNT-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.91
Rot. Bonds9

About 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106256542) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106256542
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCCc1nc(NN)cc(NCC(C)(O)CCOC)n1
InChIInChI=1S/C13H25N5O2/c1-4-5-10-16-11(8-12(17-10)18-14)15-9-13(2,19)6-7-20-3/h8,19H,4-7,9,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPGJBVHJLECBYNT-UHFFFAOYSA-N
XLogP0.91
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.91
H-Bond Donors ≤ 54
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-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257910
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256622
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249072
4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106150254
1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257948
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838
1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106294502
1-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 80937784
6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80947748
1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249085

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106256542) is 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is CCCc1nc(NN)cc(NCC(C)(O)CCOC)n1.
What is the InChIKey of 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is PGJBVHJLECBYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-4-5-10-16-11(8-12(17-10)18-14)15-9-13(2,19)6-7-20-3/h8,19H,4-7,9,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 283.38 g/mol, XLogP of 0.91, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106256542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).