4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol

C13H25N5O — CID 106150254

IUPAC4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCCc1nc(NN)cc(NCC(C)(C)CCO)n1
InChIInChI=1S/C13H25N5O/c1-4-5-10-16-11(8-12(17-10)18-14)15-9-13(2,3)6-7-19/h8,19H,4-7,9,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyNKBFMDJKYDWVKR-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.54
Rot. Bonds8

About 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol

4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106150254) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106150254
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCCc1nc(NN)cc(NCC(C)(C)CCO)n1
InChIInChI=1S/C13H25N5O/c1-4-5-10-16-11(8-12(17-10)18-14)15-9-13(2,3)6-7-19/h8,19H,4-7,9,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyNKBFMDJKYDWVKR-UHFFFAOYSA-N
XLogP1.54
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.54
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 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256542
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249072
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838
6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80947748
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149856
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80944898
4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149277
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940430
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (CID 106150254) is 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is CCCc1nc(NN)cc(NCC(C)(C)CCO)n1.
What is the InChIKey of 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is NKBFMDJKYDWVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-5-10-16-11(8-12(17-10)18-14)15-9-13(2,3)6-7-19/h8,19H,4-7,9,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 1.54, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106150254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).