N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine

C13H18BrN5S — CID 80905130

IUPACN-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(C)Cc1cc(Br)cs1
InChIInChI=1S/C13H18BrN5S/c1-3-4-11-12(18-15)16-8-17-13(11)19(2)6-10-5-9(14)7-20-10/h5,7-8H,3-4,6,15H2,1-2H3,(H,16,17,18)
InChIKeyGNMOYFDTOIFCLT-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.18
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine

N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80905130) has the molecular formula C13H18BrN5S and a molecular weight of 356.29 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80905130
Molecular FormulaC13H18BrN5S
Molecular Weight356.29 g/mol
Exact Mass355.05
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(C)Cc1cc(Br)cs1
InChIInChI=1S/C13H18BrN5S/c1-3-4-11-12(18-15)16-8-17-13(11)19(2)6-10-5-9(14)7-20-10/h5,7-8H,3-4,6,15H2,1-2H3,(H,16,17,18)
InChIKeyGNMOYFDTOIFCLT-UHFFFAOYSA-N
XLogP3.18
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
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-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80905798
6-hydrazinyl-N-methyl-5-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929501
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80785596
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566
6-hydrazinyl-N-methyl-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906104
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80894743
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80894065
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79915755

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine (CID 80905130) is N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is GNMOYFDTOIFCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5S/c1-3-4-11-12(18-15)16-8-17-13(11)19(2)6-10-5-9(14)7-20-10/h5,7-8H,3-4,6,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 356.29 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80905130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).