6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C13H19N5S — CID 80905798

IUPAC6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(C)Cc1cccs1
InChIInChI=1S/C13H19N5S/c1-3-5-11-12(17-14)15-9-16-13(11)18(2)8-10-6-4-7-19-10/h4,6-7,9H,3,5,8,14H2,1-2H3,(H,15,16,17)
InChIKeyBWBSPLXBFACRKY-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.41
Rot. Bonds6

About 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80905798) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID80905798
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(C)Cc1cccs1
InChIInChI=1S/C13H19N5S/c1-3-5-11-12(17-14)15-9-16-13(11)18(2)8-10-6-4-7-19-10/h4,6-7,9H,3,5,8,14H2,1-2H3,(H,15,16,17)
InChIKeyBWBSPLXBFACRKY-UHFFFAOYSA-N
XLogP2.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.41
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-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929501
6-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907283
N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80905130
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
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780237
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929408
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80894743
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80894065

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 80905798) is 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CCCc1c(NN)ncnc1N(C)Cc1cccs1.
What is the InChIKey of 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is BWBSPLXBFACRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-3-5-11-12(17-14)15-9-16-13(11)18(2)8-10-6-4-7-19-10/h4,6-7,9H,3,5,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 277.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80905798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).