3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide

C12H22N6O — CID 106280838

IUPAC3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCCCc1nc(NN)cc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H22N6O/c1-4-5-8-16-9(6-10(17-8)18-14)15-7-12(2,3)11(13)19/h6H,4-5,7,14H2,1-3H3,(H2,13,19)(H2,15,16,17,18)
InChIKeyCGRYATDWOBCXPK-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.64
Rot. Bonds7

About 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide

3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106280838) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID106280838
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCCCc1nc(NN)cc(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H22N6O/c1-4-5-8-16-9(6-10(17-8)18-14)15-7-12(2,3)11(13)19/h6H,4-5,7,14H2,1-3H3,(H2,13,19)(H2,15,16,17,18)
InChIKeyCGRYATDWOBCXPK-UHFFFAOYSA-N
XLogP0.64
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.64
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

4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106150254
6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80947748
N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80944898
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249072
ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
CID 80946727
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256542
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280580
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280526

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 106280838) is 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide is CCCc1nc(NN)cc(NCC(C)(C)C(N)=O)n1.
What is the InChIKey of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is CGRYATDWOBCXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-5-8-16-9(6-10(17-8)18-14)15-7-12(2,3)11(13)19/h6H,4-5,7,14H2,1-3H3,(H2,13,19)(H2,15,16,17,18).
What are the key properties of 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 266.35 g/mol, XLogP of 0.64, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).